<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">309503</id>
  <title nil="true"/>
  <common-name>2-(diethylamino)ethyl 2-(3,4,5-trimethoxyphenoxy)acetate</common-name>
  <description>2-(diethylamino)ethyl 2-(3,4,5-trimethoxyphenoxy)acetate is a chemical compound with the formula C17H27NO6. It has an average molecular weight of 341.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>47740</pubchem-id>
  <chemical-formula>C17H27NO6</chemical-formula>
  <weight>341.4</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">2026-08-29T04:04:19Z</created-at>
  <updated-at type="dateTime">2026-08-29T04:04:19Z</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)CCOC(=O)COC1=CC(=C(C(=C1)OC)OC)OC</moldb-smiles>
  <moldb-formula>C17H27NO6</moldb-formula>
  <moldb-inchi>InChI=1S/C17H27NO6/c1-6-18(7-2)8-9-23-16(19)12-24-13-10-14(20-3)17(22-5)15(11-13)21-4/h10-11H,6-9,12H2,1-5H3</moldb-inchi>
  <moldb-inchikey>XXFMVIDMTROVPR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">341.1838376</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM305396</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-(diethylamino)ethyl 2-(3,4,5-trimethoxyphenoxy)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>Phenoxyacetic acid derivatives</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0071286</sync-id>
  <structure-inchikey>XXFMVIDMTROVPR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000010000000000000000000000000500000002002000000200400000000000000000000000000000000000000000000000000000000000000000000000808101020000000000100000000000000000000000000010000000040000000104000000000000800000000000000000000000020000040000000000000000000000000000000000800000000000000000000000000000000000000000000082000000000000000080000000000000000000080000000000000010000000000000000080000000000000000000000000000000000000000000000000040010800000400000001000020040008080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`�������(�������(�������(�������`�������(������@(������@h�������@(������@(������@(������@h��������(�������`�������(�������`�������(�������`����������������������������� �	(��
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���� �h��h���h���h���h��� ����� ����� �����h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:17:10Z</structure-indexed-at>
</compound>
