<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">303632</id>
  <title nil="true"/>
  <common-name>2-[4-[2-[2-(diethylamino)ethylamino]-2-oxoethoxy]phenyl]acetic acid</common-name>
  <description>2-[4-[2-[2-(diethylamino)ethylamino]-2-oxoethoxy]phenyl]acetic acid belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C16H24N2O4 and an average molecular weight of 308.37 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>206181</pubchem-id>
  <chemical-formula>C16H24N2O4</chemical-formula>
  <weight>308.37</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">2026-08-28T20:58:32Z</created-at>
  <updated-at type="dateTime">2026-08-28T20:58:32Z</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)CCNC(=O)COC1=CC=C(C=C1)CC(=O)O</moldb-smiles>
  <moldb-formula>C16H24N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C16H24N2O4/c1-3-18(4-2)10-9-17-15(19)12-22-14-7-5-13(6-8-14)11-16(20)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,20,21)</moldb-inchi>
  <moldb-inchikey>OVCPNCDOEYKNMQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">308.1736073</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.8</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>CHEM299525</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-[4-[2-[2-(diethylamino)ethylamino]-2-oxoethoxy]phenyl]acetic acid</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>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0254808</sync-id>
  <structure-inchikey>OVCPNCDOEYKNMQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800002000000000000000000000084000010000000100000000002000200240000000000000004000000000000000000000000000000000000000000000000000400000800000020001000000100000200000000000000000000010000000000000000004000000060000800000000000000000000000000000040000000000000000000000080000000000000000002000000000004000000000000000000000000080000000000000000080000000000000000000000000000000000000020000000000000000000000000000000400220000000000000000000000000000040010000000400000001000000040000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>400000200122060088000100010820000000040000052000003000400200000c40020050008000000000410000800000042000a5808c30010000643000a04000c6110400020006000080102000620100000401804001013240000422000009000c200406004082000000000054340001200080500105e8043118000002110002004400180ce0800808020200882c0008111c0812444014820004080000400080004300001010c00000000940057c25100ac00000884108401000000000400210001000840400000201800004000102800000000002004000090000000800000000000810000100000000000240022000001000308042000e0000008052000006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`�������h��������(�������(�������`�������(������@(������@h�������@h�������@(������@h�������@h��������`�������(�������(�������h������������������������������ �	(��
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���� �h��h���h���h���h���������(��� ��h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:12:56Z</structure-indexed-at>
</compound>
