N-cyclooctyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)acetamide

• ChemBase ID: 849113
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)NC1CCCCCCC1
• Canonical SMILES: COc1cccn(c1=O)CC(=O)NC1CCCCCCC1
• InChI: InChI=1S/C16H24N2O3/c1-21-14-10-7-11-18(16(14)20)12-15(19)17-13-8-5-3-2-4-6-9-13/h7,10-11,13H,2-6,8-9,12H2,1H3,(H,17,19)
• InChIKey: AVJRKQWQDNGFEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.472928
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6896657
• LogD (pH = 7.4): 1.6896657
• Log P: 1.6896657
• Molar Refractivity: 82.6803 cm^3
• Polarizability: 31.378796 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.05
• LOG S: -3.08
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 4