<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">328508</id>
  <title nil="true"/>
  <common-name>5-(2,6-dimethoxy-4-methylphenyl)-3-(4-methoxyphenyl)pentanamide</common-name>
  <description>5-(2,6-dimethoxy-4-methylphenyl)-3-(4-methoxyphenyl)pentanamide is a compound with the formula C21H27NO4. It has an average molecular weight of 357.40 g/mol.</description>
  <cas>75436-94-1</cas>
  <pubchem-id>3058601</pubchem-id>
  <chemical-formula>C21H27NO4</chemical-formula>
  <weight>357.4</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">2026-08-30T08:24:48Z</created-at>
  <updated-at type="dateTime">2026-08-30T08:24:48Z</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>CC1=CC(=C(C(=C1)OC)CCC(CC(=O)N)C2=CC=C(C=C2)OC)OC</moldb-smiles>
  <moldb-formula>C21H27NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C21H27NO4/c1-14-11-19(25-3)18(20(12-14)26-4)10-7-16(13-21(22)23)15-5-8-17(24-2)9-6-15/h5-6,8-9,11-12,16H,7,10,13H2,1-4H3,(H2,22,23)</moldb-inchi>
  <moldb-inchikey>VKLBAKVYGKECDW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">357.1940083</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM324401</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-(2,6-dimethoxy-4-methylphenyl)-3-(4-methoxyphenyl)pentanamide</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>Lignans, neolignans and related compounds</superklass>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0279097</sync-id>
  <structure-inchikey>VKLBAKVYGKECDW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000800000000000000000000000000400000000000004000200000000000008000000000000000000000000000000000000000000000000000000000000000000020000000200100000200001000000000040000010000010040000000100000000000000000000000000000000000000000000040000000000002000080000000001004000000000000001008000000002004000000000000000400080000000000000000000000000000000000000080000000000000000000000004020000000000000000002000000200000000000000000100000004000040000020000400000000400020000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@(������@(������@h��������(�������`�������`�������`�������`�������`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h��������(�������`�������(�������`�����������h���h���h���h���h��� ����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:31:34Z</structure-indexed-at>
</compound>
