<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">308187</id>
  <title nil="true"/>
  <common-name>2-[(2-acetyloxy-3-methoxy-5-prop-2-enylbenzoyl)amino]ethyl acetate</common-name>
  <description>2-[(2-acetyloxy-3-methoxy-5-prop-2-enylbenzoyl)amino]ethyl acetate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C17H21NO6 and an average molecular weight of 335.40 g/mol.</description>
  <cas>26771-61-9</cas>
  <pubchem-id>213594</pubchem-id>
  <chemical-formula>C17H21NO6</chemical-formula>
  <weight>335.4</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">2026-08-29T02:33:18Z</created-at>
  <updated-at type="dateTime">2026-08-29T02:33:18Z</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>CC(=O)OCCNC(=O)C1=C(C(=CC(=C1)CC=C)OC)OC(=O)C</moldb-smiles>
  <moldb-formula>C17H21NO6</moldb-formula>
  <moldb-inchi>InChI=1S/C17H21NO6/c1-5-6-13-9-14(17(21)18-7-8-23-11(2)19)16(24-12(3)20)15(10-13)22-4/h5,9-10H,1,6-8H2,2-4H3,(H,18,21)</moldb-inchi>
  <moldb-inchikey>XTOVXHRHPYXTRL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">335.1368874</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.9</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>CHEM304080</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>2-[(2-acetyloxy-3-methoxy-5-prop-2-enylbenzoyl)amino]ethyl acetate</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>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0259215</sync-id>
  <structure-inchikey>XTOVXHRHPYXTRL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>840000042000000000800000000000000010000000000004000000000000400000000000000080100400000000001000000000000000000000000002000000000000000000000000000000000100000020001000000300000000000000000000000000010000000042000000100000000000004008000000000000000000401010000040000000000000000000000080000000000000000000000000000000000000000400000000000200080000000000000000000000000000000000000080000020000000000000000000840000000000000000000040080020000100020000000000000000000040000800000400000000000020000100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGAAAAIABBgBgAAAAAQMGACgAAAAD
BAgAKAAAAAMCCAAoAAAAAwIGAGAAAAACAgYAYAAAAAICBwBoAAAAAwIBBgAo
AAAAAwQIACgAAAADAgZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMD
AQZAKAAAAAMEBkBoAAAAAwMBBgBgAAAAAgIGAGgAAAADAwEGAGgAAAADAgII
ACgAAAADAgYAYAAAAAEDCAAoAAAAAwIGACgAAAADBAgAKAAAAAMCBgBgAAAA
AQMLAAEAAQIoAgEDIAMEAAQFAAUGAAYHIAcIKAIHCSAJCmgMCgtoDAsMaAwM
DWgMDQ5oDA0PAA8QABARCAILEiASEwAKFCAUFSAVFigCFRcADgloDEIBAAAA
BgkODQwLChcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:16:08Z</structure-indexed-at>
</compound>
