N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 196585
• Molecular Formular: C20H19NO5
• Molecular Mass: 353.36856
• Monoisotopic Mass: 353.12632271
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)NCc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)CNC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C20H19NO5/c1-13-9-20(23)26-18-10-16(7-8-17(13)18)25-12-19(22)21-11-14-3-5-15(24-2)6-4-14/h3-10H,11-12H2,1-2H3,(H,21,22)
• InChIKey: RHZVQVNUNNHBQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164252495
• PubChem CID: 1801254

CALCULATED PROPERTIES

• Acid pKa: 13.77367
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3866014
• LogD (pH = 7.4): 2.3866014
• Log P: 2.3866014
• Molar Refractivity: 96.1731 cm^3
• Polarizability: 37.066917 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds