2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-[1-(4-propylphenyl)ethyl]acetamide

• ChemBase ID: 628308
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)NC(c1ccc(cc1)CCC)C
• Canonical SMILES: CCCc1ccc(cc1)C(NC(=O)Cn1cccc(c1=O)OC)C
• InChI: InChI=1S/C19H24N2O3/c1-4-6-15-8-10-16(11-9-15)14(2)20-18(22)13-21-12-5-7-17(24-3)19(21)23/h5,7-12,14H,4,6,13H2,1-3H3,(H,20,22)
• InChIKey: LJTMOFUTXATXKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-[1-(4-propylphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-(3-methoxy-2-oxopyridin-1-yl)-N-[1-(4-propylphenyl)ethyl]acetamide
• Synonyms: 2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-[1-(4-propylphenyl)ethyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.62
• LOG S: -3.83
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 7

JChem

• H Donor: 1
• LogD (pH = 5.5): 2.5448647
• LogD (pH = 7.4): 2.5448647
• Log P: 2.5448647
• Molar Refractivity: 95.7387 cm^3
• Polarizability: 36.083984 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 14.441757
• H Acceptors: 3