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

• ChemBase ID: 743631
• Molecular Formular: C15H22N2O3
• Molecular Mass: 278.34678
• Monoisotopic Mass: 278.16304257
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)NCC1CCCCC1
• Canonical SMILES: COc1cccn(c1=O)CC(=O)NCC1CCCCC1
• InChI: InChI=1S/C15H22N2O3/c1-20-13-8-5-9-17(15(13)19)11-14(18)16-10-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H,16,18)
• InChIKey: TVFWXTPXVIISFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.532792
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.115541
• LogD (pH = 7.4): 1.115541
• Log P: 1.115541
• Molar Refractivity: 78.2091 cm^3
• Polarizability: 29.54199 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: 1.45
• LOG S: -2.47
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 5