<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351672</id>
  <title nil="true"/>
  <common-name>N-[4-(2-acetylhydrazinyl)phenyl]-5-amino-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]benzamide</common-name>
  <description>N-[4-(2-acetylhydrazinyl)phenyl]-5-amino-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]benzamide is a chemical compound with the formula C31H40N4O3. With an average molecular weight of 516.70 g/mol, N-[4-(2-acetylhydrazinyl)phenyl]-5-amino-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]benzamide is a heavy molecule.</description>
  <cas>63134-32-7</cas>
  <pubchem-id>113062</pubchem-id>
  <chemical-formula>C31H40N4O3</chemical-formula>
  <weight>516.7</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">2026-08-31T17:30:03Z</created-at>
  <updated-at type="dateTime">2026-08-31T17:30:03Z</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>CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)N)C(=O)NC3=CC=C(C=C3)NNC(=O)C)C(C)(C)CC</moldb-smiles>
  <moldb-formula>C31H40N4O3</moldb-formula>
  <moldb-inchi>InChI=1S/C31H40N4O3/c1-8-30(4,5)21-10-16-28(26(18-21)31(6,7)9-2)38-27-17-11-22(32)19-25(27)29(37)33-23-12-14-24(15-13-23)35-34-20(3)36/h10-19,35H,8-9,32H2,1-7H3,(H,33,37)(H,34,36)</moldb-inchi>
  <moldb-inchikey>JLKWCUCMJMTOIL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">516.3100412</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.5</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>CHEM347565</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>N-[4-(2-acetylhydrazinyl)phenyl]-5-amino-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]benzamide</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>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0301971</sync-id>
  <structure-inchikey>JLKWCUCMJMTOIL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800200002000000000000000000100000000000004000000000003000000000000000000000000800000100000000000000002000000200000000800000000000000000000010120000000004100000000000040000000001020010000000011000000100080000000000000000000000000000000400000000040080400000000000000000080009000000000000000000000000000000010000000000002000010080000000040040000004000000000000000000000000000000000208000400000010000400000000000000000000200200000000010008000000000000040000000000400000000000020200100000000000004</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������&amp;���(���€���`�������`������� ������`�������`������@(������@h�������@(������@(������@h�������@h��������(������@(������@(������@h�������@(������@h�������@h��������h��������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h��������h��������h��������(�������(�������`������� ������`�������`�������`�������`�����������������������h���h���h��	h�	
h��� �� �h��h���h���h���h��� � ��(��� �� ��h���h���h���h���h��� ����� ��(�� ��!�!"�!#�!$�$%�
�h���h���h�B������
	��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:33Z</structure-indexed-at>
</compound>
