<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">342588</id>
  <title nil="true"/>
  <common-name>3-(1-adamantyl)-n-[(2,4-dihydroxyphenyl)methyl]-4-methoxybenzamide</common-name>
  <description>3-(1-adamantyl)-n-[(2,4-dihydroxyphenyl)methyl]-4-methoxybenzamide is a chemical compound with the formula C25H29NO4. It has an average molecular weight of 407.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>70685217</pubchem-id>
  <chemical-formula>C25H29NO4</chemical-formula>
  <weight>407.5</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">2026-08-31T03:34:39Z</created-at>
  <updated-at type="dateTime">2026-08-31T03:34:39Z</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>COC1=C(C=C(C=C1)C(=O)NCC2=C(C=C(C=C2)O)O)C34CC5CC(C3)CC(C5)C4</moldb-smiles>
  <moldb-formula>C25H29NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C25H29NO4/c1-30-23-5-3-18(24(29)26-14-19-2-4-20(27)10-22(19)28)9-21(23)25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,15-17,27-28H,6-8,11-14H2,1H3,(H,26,29)</moldb-inchi>
  <moldb-inchikey>MZAJLDVRKVEVKU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">407.2096584</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM338481</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>3-(1-adamantyl)-n-[(2,4-dihydroxyphenyl)methyl]-4-methoxybenzamide</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>CED0292977</sync-id>
  <structure-inchikey>MZAJLDVRKVEVKU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80020000000000000000000100000400000000000061204000000000000000000000000000040000000000000000000000000200000000020000000000002000000000000000002000000100011000000000004000000000000001040000004000000010000000000002000000000000000000000010000000804800000000000000000000008100000400000000000000000000000000080000c000000004000000084000000000000002000000000000000000000080000000000010002100000000000000000000005000000000040200000000000000000000000000000040000000000400000000000020880000000000000000</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-indexed-at type="dateTime">2026-09-19T05:42:11Z</structure-indexed-at>
</compound>
