6495 <common-name>N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3,4-DIMETHOXYCINNAMIC ACID AMIDE</common-name> <description nil="true"/> <cas>69444-90-2</cas> <pubchem-id nil="true"/> <chemical-formula>C21H25NO5</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">2016-05-19T02:01:40Z</created-at> <updated-at type="dateTime">2026-04-06T12:39:25Z</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=CC=C(CCNC(=O)C=CC2=CC=C(OC)C(OC)=C2)C=C1OC</moldb-smiles> <moldb-formula>C21H25NO5</moldb-formula> <moldb-inchi>InChI=1S/C21H25NO5/c1-24-17-8-5-15(13-19(17)26-3)7-10-21(23)22-12-11-16-6-9-18(25-2)20(14-16)27-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)</moldb-inchi> <moldb-inchikey>OZNUPWACHHUIKC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">371.433</moldb-average-mass> <moldb-mono-mass type="decimal">371.173272909</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM005390</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00124264</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>66.02000000000001</moldb-polar-surface-area> <moldb-refractivity>104.9992</moldb-refractivity> <moldb-polarizability>41.13170704733118</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>15.298863148819525</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.3879846010255158</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.34</moldb-alogps-logp> <moldb-alogps-logs>-5.13</moldb-alogps-logs> <moldb-alogps-solubility>2.77e-03 g/l</moldb-alogps-solubility> </compound>