N-(3-methoxyphenyl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 195566
• Molecular Formular: C24H19NO5
• Molecular Mass: 401.41136
• Monoisotopic Mass: 401.12632271
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1cc(OC)ccc1)cc2)c1ccccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C24H19NO5/c1-28-18-9-5-8-17(12-18)25-23(26)15-29-19-10-11-20-21(16-6-3-2-4-7-16)14-24(27)30-22(20)13-19/h2-14H,15H2,1H3,(H,25,26)
• InChIKey: RZCMCIFZGWGGKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164251476
• PubChem CID: 1798922

CALCULATED PROPERTIES

• Acid pKa: 12.421792
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.813501
• LogD (pH = 7.4): 3.8134968
• Log P: 3.813501
• Molar Refractivity: 122.3896 cm^3
• Polarizability: 42.949455 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