47063 <common-name>Diacetolol</common-name> <description>Diacetolol belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C16H24N2O4 and an average molecular weight of 308.38 g/mol.</description> <cas>28197-69-5</cas> <pubchem-id>50894</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">2016-06-03T13:51:13Z</created-at> <updated-at type="dateTime">2026-08-19T17:13:51Z</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>CC(C)NCC(O)COC1=C(C=C(C=C1)N=C(C)O)C(C)=O</moldb-smiles> <moldb-formula>C16H24N2O4</moldb-formula> <moldb-inchi>InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)</moldb-inchi> <moldb-inchikey>AWOGXJOBNAWQSF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">308.378</moldb-average-mass> <moldb-mono-mass type="decimal">308.173607261</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>46139</chemspider-id> <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>CHEM045958</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009282</stoff-ident-id> <susdat-id>NS00001306</susdat-id> <iupac>N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide</iupac> <moldb-polar-surface-area>91.15</moldb-polar-surface-area> <moldb-refractivity>86.3964</moldb-refractivity> <moldb-polarizability>34.34877934110508</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>5.194431864642289</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.566269400477958</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.80</moldb-alogps-logp> <moldb-alogps-logs>-3.14</moldb-alogps-logs> <moldb-alogps-solubility>2.23e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">93</paper-count> <sync-id>CED0019434</sync-id> <structure-inchikey>AWOGXJOBNAWQSF-UHFFFAOYSA-N</structure-inchikey> 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