N-[2-(2-methoxyphenyl)-4-oxo-4H-chromen-6-yl]cyclopropanecarboxamide

• ChemBase ID: 220795
• Molecular Formular: C20H17NO4
• Molecular Mass: 335.35328
• Monoisotopic Mass: 335.11575803
• SMILES: c1(cc(=O)c2c(o1)ccc(NC(=O)C1CC1)c2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1cc(=O)c2c(o1)ccc(c2)NC(=O)C1CC1
• InChI: InChI=1S/C20H17NO4/c1-24-17-5-3-2-4-14(17)19-11-16(22)15-10-13(8-9-18(15)25-19)21-20(23)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,21,23)
• InChIKey: CATDJPOFHPNIBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276705
• PubChem CID: 42506855

CALCULATED PROPERTIES

• Acid pKa: 14.04764
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8272204
• LogD (pH = 7.4): 2.8272204
• Log P: 2.8272204
• Molar Refractivity: 95.6966 cm^3
• Polarizability: 35.620358 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