N-(4-{[(7-methoxy-2-oxo-2H-chromen-4-yl)methyl]amino}phenyl)-N-methylacetamide

• ChemBase ID: 204746
• Molecular Formular: C20H20N2O4
• Molecular Mass: 352.3838
• Monoisotopic Mass: 352.14230713
• SMILES: c12oc(=O)cc(c1ccc(c2)OC)CNc1ccc(N(C(=O)C)C)cc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2CNc1ccc(cc1)N(C(=O)C)C
• InChI: InChI=1S/C20H20N2O4/c1-13(23)22(2)16-6-4-15(5-7-16)21-12-14-10-20(24)26-19-11-17(25-3)8-9-18(14)19/h4-11,21H,12H2,1-3H3
• InChIKey: XXEUSTNZWQRGAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[(7-methoxy-2-oxo-2H-chromen-4-yl)methyl]amino}phenyl)-N-methylacetamide
• IUPAC Traditional name: N-(4-{[(7-methoxy-2-oxochromen-4-yl)methyl]amino}phenyl)-N-methylacetamide

Database IDs

• PubChem SID: 164260656
• PubChem CID: 1770224

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6966474
• LogD (pH = 7.4): 1.7105097
• Log P: 1.7106892
• Molar Refractivity: 100.0379 cm^3
• Polarizability: 37.513416 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds