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

• ChemBase ID: 195328
• Molecular Formular: C26H23NO4
• Molecular Mass: 413.46512
• Monoisotopic Mass: 413.16270822
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1ccc(cc1)C(C)C)cc2)c1ccccc1
• Canonical SMILES: O=C(Nc1ccc(cc1)C(C)C)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C26H23NO4/c1-17(2)18-8-10-20(11-9-18)27-25(28)16-30-21-12-13-22-23(19-6-4-3-5-7-19)15-26(29)31-24(22)14-21/h3-15,17H,16H2,1-2H3,(H,27,28)
• InChIKey: KPOWWWSEMCEWNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251238
• PubChem CID: 1748727

CALCULATED PROPERTIES

• Acid pKa: 12.653848
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.2161813
• LogD (pH = 7.4): 5.216179
• Log P: 5.2161813
• Molar Refractivity: 130.1172 cm^3
• Polarizability: 45.880272 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds