2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(4-methoxyphenyl)acetamide

• ChemBase ID: 193086
• Molecular Formular: C20H19NO5
• Molecular Mass: 353.36856
• Monoisotopic Mass: 353.12632271
• SMILES: c12c(c(cc(=O)o1)C)ccc(c2C)OCC(=O)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)COc1ccc2c(c1C)oc(=O)cc2C
• InChI: InChI=1S/C20H19NO5/c1-12-10-19(23)26-20-13(2)17(9-8-16(12)20)25-11-18(22)21-14-4-6-15(24-3)7-5-14/h4-10H,11H2,1-3H3,(H,21,22)
• InChIKey: BAFSDUVHPDZGLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-[(4,8-dimethyl-2-oxochromen-7-yl)oxy]-N-(4-methoxyphenyl)acetamide

Database IDs

• PubChem SID: 164248996
• PubChem CID: 1792634

CALCULATED PROPERTIES

• Acid pKa: 12.709001
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1931183
• LogD (pH = 7.4): 3.1931162
• Log P: 3.1931183
• Molar Refractivity: 98.1601 cm^3
• Polarizability: 36.98402 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds