333634 <common-name>1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone</common-name> <description>1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone is a chemical compound with the formula C22H37NO4. It has an average molecular weight of 379.50 g/mol.</description> <cas nil="true"/> <pubchem-id>10056484</pubchem-id> <chemical-formula>C22H37NO4</chemical-formula> <weight>379.5</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">2026-08-30T15:07:53Z</created-at> <updated-at type="dateTime">2026-08-30T15:07:53Z</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>CCCCCCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)C)O</moldb-smiles> <moldb-formula>C22H37NO4</moldb-formula> <moldb-inchi>InChI=1S/C22H37NO4/c1-5-6-7-8-9-12-26-15-20-13-19(18(4)24)10-11-22(20)27-16-21(25)14-23-17(2)3/h10-11,13,17,21,23,25H,5-9,12,14-16H2,1-4H3</moldb-inchi> <moldb-inchikey>QLDWLHNHMNSRNI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">379.2722587</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</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>CHEM329527</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>1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0284115</sync-id> <structure-inchikey>QLDWLHNHMNSRNI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000000800200000300000000000040008000000000100000000000001002000000000000000010000000000000000200000000000000000000000000000000000000010002004000800020200000000100000000000040000000020020010000000000000000100000000000000000000000000000000000400800000040000000000000000000010080000000000000000000000040000000000000000004000004400000084000000000000008080000000000000000000000000000020000000000000000000000000000004000000000000200000000000000000800000000000040000020010400000000000020000084000000020200</structure-fingerprint> <structure-pattern-fingerprint>500000000132060081000100010820000000040804052000003420400200080c40020050008000000000410800800000046100a4008c30010000643000a04000c6110400028006000090100010720000000405805001013240040622000009000c200526004082002000000055340001200080500121e0041118000002110002504000080ee0800808020240082c0008111c0812444014820000080000400080004310001010c00000000848017c25100ac000008941084010000200084002100000008404000032018002000445028000000000020050000d0000000801030000004a10000100000000000200122004001020308042802e0000030052000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`������� ������`������@(������@(������@h�������@h�������@(������@h��������(�������(�������`�������(�������`�������`�������`�������`�������`�������`�������`�������`������������������������������� � h� �h���h�� h� �h� � ��(���� � ������������������������� h�B����� � �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:35:41Z</structure-indexed-at> </compound>