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

• ChemBase ID: 198219
• Molecular Formular: C24H19NO4
• Molecular Mass: 385.41196
• Monoisotopic Mass: 385.13140809
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCc1ccccc1)cc2)c1ccccc1
• Canonical SMILES: O=C(COc1ccc2c(c1)oc(=O)cc2c1ccccc1)NCc1ccccc1
• InChI: InChI=1S/C24H19NO4/c26-23(25-15-17-7-3-1-4-8-17)16-28-19-11-12-20-21(18-9-5-2-6-10-18)14-24(27)29-22(20)13-19/h1-14H,15-16H2,(H,25,26)
• InChIKey: IVXQBVULOKJGPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254129
• PubChem CID: 1752724

CALCULATED PROPERTIES

• Acid pKa: 13.738721
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6780767
• LogD (pH = 7.4): 3.6780767
• Log P: 3.6780767
• Molar Refractivity: 118.9806 cm^3
• Polarizability: 42.283203 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds