350994 <common-name>[5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxyacetate</common-name> <description>[5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxyacetate is a chemical compound with the formula C30H45NO3. It has an average molecular weight of 467.70 g/mol.</description> <cas nil="true"/> <pubchem-id>3075624</pubchem-id> <chemical-formula>C30H45NO3</chemical-formula> <weight>467.7</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">2026-08-31T16:25:09Z</created-at> <updated-at type="dateTime">2026-08-31T16:25:09Z</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>CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=C(C=C2)C3CCCCC3)O</moldb-smiles> <moldb-formula>C30H45NO3</moldb-formula> <moldb-inchi>InChI=1S/C30H45NO3/c1-5-31(6-2)23-13-22-29(3,4)34-28(32)30(33,26-16-11-8-12-17-26)27-20-18-25(19-21-27)24-14-9-7-10-15-24/h18-21,24,26,33H,5-12,14-17,23H2,1-4H3</moldb-inchi> <moldb-inchikey>HHQDKXPELORTBB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">467.3399443</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.3</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>CHEM346887</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxyacetate</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>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0301297</sync-id> <structure-inchikey>HHQDKXPELORTBB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000200800000002000000001000000000000000000810000100000000002000000000000000020000000800000000000000000000000000000000000000000000000400000000000000020000020000100000000000000000000008005010000000000000040004020000000020800000000000000000000100800000040000000008000000000000002000000000400000000000800000001000000000406000000000000080000000040400000000000000000000000000000000000000002000000000000000000400000000000000020010200000000000010000000000000000040000000080400000100000000040000800000000000</structure-fingerprint> 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