85681 <common-name>Dimethyl 5-(1-hydroxy-N-octadecyl-2-naphthamido)isophthalate</common-name> <description>Dimethyl 5-(1-hydroxy-N-octadecyl-2-naphthamido)isophthalate belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. It has the chemical formula C39H53NO6. With an average molecular weight of 631.85 g/mol, Dimethyl 5-(1-hydroxy-N-octadecyl-2-naphthamido)isophthalate is a heavy molecule. It is further classified as a benzenoid.</description> <cas>3748-70-7</cas> <pubchem-id>77354</pubchem-id> <chemical-formula>C39H53NO6</chemical-formula> <weight>631.8</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-04T20:45:37Z</created-at> <updated-at type="dateTime">2026-08-31T23:09:06Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCCCCCCCCCCCCCCCN(C(=O)C1=C(O)C2=C(C=CC=C2)C=C1)C1=CC(=CC(=C1)C(=O)OC)C(=O)OC</moldb-smiles> <moldb-formula>C39H53NO6</moldb-formula> <moldb-inchi>InChI=1/C39H53NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-40(33-28-31(38(43)45-2)27-32(29-33)39(44)46-3)37(42)35-25-24-30-22-19-20-23-34(30)36(35)41/h19-20,22-25,27-29,41H,4-18,21,26H2,1-3H3</moldb-inchi> <moldb-inchikey>XOWCGAANUVRYOR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">631.854</moldb-average-mass> <moldb-mono-mass type="decimal">631.3872884</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>12.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM081574</chemdb-id> <dsstox-id>DTXSID00884009</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00045854</susdat-id> <iupac>dimethyl 5-[(1-hydroxynaphthalene-2-carbonyl)-octadecylamino]benzene-1,3-dicarboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalenecarboxylic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0155299</sync-id> <structure-inchikey>XOWCGAANUVRYOR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000040001000800000000000000040000000000000300000000008000000000102000000000000040000000008000000000000000000000000000000000000000000000000010000000000000020000000000100000000000000000000010020010000000040000000104000002000000000000000000000000000000000000040000011808080000000010080000000000100000400000000000000000002000001000000040000084000000000000008000000000000000000000020000000040000002000000000000000040000000000100000000200000000000000000000000001000040000000010400000001000000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>7014c0008d128e44c1801b608138a2001800140081052060003d20408224e84c6c420050138000000100412800c00000246102a5c08d36250166643900a04010c7130c011a80160000901070107a13000804858055211f3340040662442249040c28052f0048822040080480ddb4004d208680500125e1047118244002710012104408184ef0820a08070250c82c0008391d981244409e8a5024082060c0848000d3109310b0c0300a040968057c35104ac000028941084811804a304cc00212a01000e414d9013301808404541142980c010000020050400d6002002800030490104b100881090013080403591220820050203085c2040e1108908052080606</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAuAAAAMAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG AGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBwAoAAAA AwMGACgAAAADBAgAKAAAAAMCBkAoAAAAAwQGQCgAAAADBAgAaAAAAAMBAQZA KAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgA AAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAKAAA AAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGACgAAAADBAgAKAAAAAMC CAAoAAAAAwIGAGAAAAABAwYAKAAAAAMECAAoAAAAAwIIACgAAAADAgYAYAAA AAEDCwABAAECAAIDAAMEAAQFAAUGAAYHAAcIAAgJAAkKAAoLAAsMAAwNAA0O AA4PAA8QABARABESABITIBMUKAITFSAVFmgMFhcgFhhoDBgZaAwZGmgMGhto DBscaAwcHWgMGR5oDB4faAwSICAgIWgMISJoDCIjaAwjJGgMJCVoDCQmICYn KAImKCAoKQAiKiAqKygCKiwgLC0AHxVoDCUgaAwdGGgMQgMAAAAGFhgZHh8V BhobHB0YGQYhIiMkJSAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:24Z</structure-indexed-at> </compound>