<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">323781</id>
  <title nil="true"/>
  <common-name>Ethyl 2-[n-[2-(dimethylamino)ethyl]anilino]-2-phenylacetate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>59242</pubchem-id>
  <chemical-formula>C20H26N2O2</chemical-formula>
  <weight>326.4</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">2026-08-30T00:36:01Z</created-at>
  <updated-at type="dateTime">2026-08-30T00:36:01Z</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>CCOC(=O)C(C1=CC=CC=C1)N(CCN(C)C)C2=CC=CC=C2</moldb-smiles>
  <moldb-formula>C20H26N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H26N2O2/c1-4-24-20(23)19(17-11-7-5-8-12-17)22(16-15-21(2)3)18-13-9-6-10-14-18/h5-14,19H,4,15-16H2,1-3H3</moldb-inchi>
  <moldb-inchikey>MDBOOCLSGDINHP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">326.1994281</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM319674</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>Ethyl 2-[n-[2-(dimethylamino)ethyl]anilino]-2-phenylacetate</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0274446</sync-id>
  <structure-inchikey>MDBOOCLSGDINHP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000010000000000000400000000000000000000082000000002000000000000004000000000000000000000000000000000000000000000000000000000000000028000000000500000000000000000000100000010000000000000000004000000000000000000000000000000080000000000040000000808100000000000000100000000100000000020000000000000000000000000000000400080000000200000000000000000000000000000000000000000400000000000000000000000000000000002000000200000000000000002000000000040040000000000400000001000000000000000000000001</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��	h�	
h�
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�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:28:09Z</structure-indexed-at>
</compound>
