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

• ChemBase ID: 196998
• Molecular Formular: C23H23NO4
• Molecular Mass: 377.43302
• Monoisotopic Mass: 377.16270822
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NC1CCCCC1)cc2)c1ccccc1
• Canonical SMILES: O=C(NC1CCCCC1)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C23H23NO4/c25-22(24-17-9-5-2-6-10-17)15-27-18-11-12-19-20(16-7-3-1-4-8-16)14-23(26)28-21(19)13-18/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2,(H,24,25)
• InChIKey: IFZOMXGMEIWSTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252908
• PubChem CID: 1750102

CALCULATED PROPERTIES

• Acid pKa: 14.557948
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7528741
• LogD (pH = 7.4): 3.7528741
• Log P: 3.7528741
• Molar Refractivity: 115.3822 cm^3
• Polarizability: 41.168835 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