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

• ChemBase ID: 197996
• Molecular Formular: C24H19NO4
• Molecular Mass: 385.41196
• Monoisotopic Mass: 385.13140809
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1ccc(cc1)C)cc2)c1ccccc1
• Canonical SMILES: O=C(Nc1ccc(cc1)C)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C24H19NO4/c1-16-7-9-18(10-8-16)25-23(26)15-28-19-11-12-20-21(17-5-3-2-4-6-17)14-24(27)29-22(20)13-19/h2-14H,15H2,1H3,(H,25,26)
• InChIKey: BVOBNQKPFVHUPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164253906
• PubChem CID: 1752155

CALCULATED PROPERTIES

• Acid pKa: 12.666858
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.4845934
• LogD (pH = 7.4): 4.484591
• Log P: 4.4845934
• Molar Refractivity: 120.9676 cm^3
• Polarizability: 42.196 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds