N-cyclohexyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)butanamide

• ChemBase ID: 650132
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: n1(c(=O)c(ccc1)OC)C(C(=O)NC1CCCCC1)CC
• Canonical SMILES: CCC(n1cccc(c1=O)OC)C(=O)NC1CCCCC1
• InChI: InChI=1S/C16H24N2O3/c1-3-13(15(19)17-12-8-5-4-6-9-12)18-11-7-10-14(21-2)16(18)20/h7,10-13H,3-6,8-9H2,1-2H3,(H,17,19)
• InChIKey: IFJLIJNTIZCMCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)butanamide
• IUPAC Traditional name: N-cyclohexyl-2-(3-methoxy-2-oxopyridin-1-yl)butanamide
• Synonyms: N-cyclohexyl-2-(3-methoxy-2-oxopyridin-1(2H)-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.457577
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.891815
• LogD (pH = 7.4): 1.891815
• Log P: 1.891815
• Molar Refractivity: 82.4962 cm^3
• Polarizability: 31.378796 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.8
• LOG S: -2.87
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 5