N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide

• ChemBase ID: 585740
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: C(=O)(c1c(c(NC(=O)C2COCC2)ccc1)C)NC1CCCCC1
• Canonical SMILES: O=C(C1COCC1)Nc1cccc(c1C)C(=O)NC1CCCCC1
• InChI: InChI=1S/C19H26N2O3/c1-13-16(19(23)20-15-6-3-2-4-7-15)8-5-9-17(13)21-18(22)14-10-11-24-12-14/h5,8-9,14-15H,2-4,6-7,10-12H2,1H3,(H,20,23)(H,21,22)
• InChIKey: YYTUFOPYWJGLSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
• IUPAC Traditional name: N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
• Synonyms: N-{3-[(cyclohexylamino)carbonyl]-2-methylphenyl}tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.720029
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7303088
• LogD (pH = 7.4): 2.7303088
• Log P: 2.730309
• Molar Refractivity: 94.9472 cm^3
• Polarizability: 35.62098 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.67
• LOG S: -3.03
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4