Rubemamine

Base Information

• Chemical Name: Rubemamine
• CAS No.: 69444-90-2
• Molecular Formula: C21H25NO5
• Molecular Weight: 371.4
• UNII: ACW0M536VD
• DSSTox Substance ID: DTXSID90153372
• Nikkaji Number: J1.979.512H,J3.469.402H
• Wikidata: Q27273879
• Metabolomics Workbench ID: 45343
• ChEMBL ID: CHEMBL251400
• Mol file: 69444-90-2.mol

Synonyms:Rubemamine;trans-Rubemamine;FEMA No. 4310;121817-65-0;69444-90-2;UNII-ACW0M536VD;ACW0M536VD;N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3,4-DIMETHOXYCINNAMIC ACID AMIDE;(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide;N-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4-dimethoxycinnamic acid amide;3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acrylamide;(2E)-3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)acrylamide;(2E)-3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)prop-2-enamide;2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-, (2E)-;2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-, (E)-;2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-rubenamin;2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-;(2E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide;(2E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acrylamide;CHEMBL251400;SCHEMBL1917292;SCHEMBL4812487;DTXSID90153372;CHEBI:186757;STK742695;AKOS001607908;AB00090774-01;AG-205/37023077;SR-01000408644;SR-01000408644-1;N-(3,4-Dimethoxyphenethyl)-3,4-dimethoxycinnamamide;Q27273879;N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3,4-DIMETHOXYCINNAMIDE;3-(3,4-DIMETHOXY-PHENYL)-N-(2-(3,4-DIMETHOXYPHENYL)-ETHYL)-ACRYLAMIDE;N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3,4-DIMETHOXYCINNAMIC ACID AMIDE [FHFI]

Chemical Property of Rubemamine

Chemical Property:

• Vapor Pressure: 9.36E-14mmHg at 25°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 371.17327290
• Heavy Atom Count: 27
• Complexity: 470

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCNC(=O)C=CC2=CC(=C(C=C2)OC)OC)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)OC