2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-(3-methoxypropyl)-N-methylacetamide

• ChemBase ID: 860717
• Molecular Formular: C13H20N2O4
• Molecular Mass: 268.3089
• Monoisotopic Mass: 268.14230713
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(CCCOC)C
• Canonical SMILES: COCCCN(C(=O)Cn1cccc(c1=O)OC)C
• InChI: InChI=1S/C13H20N2O4/c1-14(7-5-9-18-2)12(16)10-15-8-4-6-11(19-3)13(15)17/h4,6,8H,5,7,9-10H2,1-3H3
• InChIKey: OQRBVWVRSQUKGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 0
• Log P: -0.61
• LOG S: -1.95

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 16.324604
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7620819
• LogD (pH = 7.4): -0.7620819
• Log P: -0.7620819
• Molar Refractivity: 73.2697 cm^3
• Polarizability: 27.31456 Å^3
• Polar Surface Area: 59.08 Å^2