N-cyclohexyl-2-(methoxymethyl)-6-methyl-4-oxo-1-(3-phenylpropyl)-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 343140
• Molecular Formular: C24H32N2O3
• Molecular Mass: 396.52248
• Monoisotopic Mass: 396.24129289
• SMILES: c1(c(n(c(cc1=O)C)CCCc1ccccc1)COC)C(=O)NC1CCCCC1
• Canonical SMILES: COCc1c(C(=O)NC2CCCCC2)c(=O)cc(n1CCCc1ccccc1)C
• InChI: InChI=1S/C24H32N2O3/c1-18-16-22(27)23(24(28)25-20-13-7-4-8-14-20)21(17-29-2)26(18)15-9-12-19-10-5-3-6-11-19/h3,5-6,10-11,16,20H,4,7-9,12-15,17H2,1-2H3,(H,25,28)
• InChIKey: WXILJRPPUVIPQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(methoxymethyl)-6-methyl-4-oxo-1-(3-phenylpropyl)-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-cyclohexyl-2-(methoxymethyl)-6-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide
• Synonyms: N-cyclohexyl-2-(methoxymethyl)-6-methyl-4-oxo-1-(3-phenylpropyl)-1,4-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.343969
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.918111
• LogD (pH = 7.4): 3.9181116
• Log P: 3.9181116
• Molar Refractivity: 118.6202 cm^3
• Polarizability: 44.569134 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.82
• LOG S: -5.7
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 7