2-(4-methoxyphenyl)-N-(2-oxo-2H-chromen-6-yl)acetamide

• ChemBase ID: 218049
• Molecular Formular: C18H15NO4
• Molecular Mass: 309.316
• Monoisotopic Mass: 309.10010797
• SMILES: o1c(=O)ccc2c1ccc(NC(=O)Cc1ccc(cc1)OC)c2
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C18H15NO4/c1-22-15-6-2-12(3-7-15)10-17(20)19-14-5-8-16-13(11-14)4-9-18(21)23-16/h2-9,11H,10H2,1H3,(H,19,20)
• InChIKey: WZYJYYXCQKYJHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)-N-(2-oxo-2H-chromen-6-yl)acetamide
• IUPAC Traditional name: 2-(4-methoxyphenyl)-N-(2-oxochromen-6-yl)acetamide

Database IDs

• PubChem SID: 164273959
• PubChem CID: 16408031

CALCULATED PROPERTIES

• Acid pKa: 14.140695
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6977386
• LogD (pH = 7.4): 2.6977384
• Log P: 2.6977386
• Molar Refractivity: 87.5967 cm^3
• Polarizability: 32.689068 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds