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

• ChemBase ID: 221686
• Molecular Formular: C18H15NO4
• Molecular Mass: 309.316
• Monoisotopic Mass: 309.10010797
• SMILES: c1(cc(=O)oc2c1cccc2)NC(=O)Cc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CC(=O)Nc1cc(=O)oc2c1cccc2
• InChI: InChI=1S/C18H15NO4/c1-22-15-8-4-2-6-12(15)10-17(20)19-14-11-18(21)23-16-9-5-3-7-13(14)16/h2-9,11H,10H2,1H3,(H,19,20)
• InChIKey: SVPWJEZRHZYKCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277596
• PubChem CID: 17714810

CALCULATED PROPERTIES

• Acid pKa: 13.28925
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.888147
• LogD (pH = 7.4): 1.8881465
• Log P: 1.888147
• Molar Refractivity: 85.7273 cm^3
• Polarizability: 32.699253 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