17433 <common-name>3-Hydroxy-4-butyrophenetidide</common-name> <description nil="true"/> <cas>1083-57-4</cas> <pubchem-id>14130</pubchem-id> <chemical-formula>C12H17NO3</chemical-formula> <weight nil="true"/> <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">2016-05-22T03:27:45Z</created-at> <updated-at type="dateTime">2026-05-14T19:31:43Z</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>DB13278</drugbank-id> <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>CCOC1=CC=C(NC(=O)CC(C)O)C=C1</moldb-smiles> <moldb-formula>C12H17NO3</moldb-formula> <moldb-inchi>InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)</moldb-inchi> <moldb-inchikey>LIAWQASKBFCRNR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">223.272</moldb-average-mass> <moldb-mono-mass type="decimal">223.120843411</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.25</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>13507</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>CHEM016328</chemdb-id> <dsstox-id>DTXSID6020721</dsstox-id> <toxcast-id>20721</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00001435</susdat-id> <iupac>N-(4-ethoxyphenyl)-3-hydroxybutanamide</iupac> <moldb-polar-surface-area>58.56</moldb-polar-surface-area> <moldb-refractivity>62.9532</moldb-refractivity> <moldb-polarizability>24.735730013137903</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>14.577763623212089</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.604390669563262</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.39</moldb-alogps-logp> <moldb-alogps-logs>-2.01</moldb-alogps-logs> <moldb-alogps-solubility>2.17e+00 g/l</moldb-alogps-solubility> </compound>