N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 504897
• 分子式: C19H23FN2O4
• 平均质量: 362.3953232
• 单一同位素质量: 362.16418545
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)N(CCOc1c(F)cccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cc(C)c([nH]c1=O)C)CCOc1ccccc1F
• InChI: InChI=1S/C19H23FN2O4/c1-13-12-15(18(23)21-14(13)2)19(24)22(8-10-25-3)9-11-26-17-7-5-4-6-16(17)20/h4-7,12H,8-11H2,1-3H3,(H,21,23)
• InChIKey: XWPFRLUERYYIFK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• 别名: N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

理论计算性质

JChem

• Acid pKa: 11.002574
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.429723
• LogD (pH = 7.4): 1.4296285
• Log P: 1.4297246
• 摩尔折射率: 97.6484 cm^3
• 极化性: 36.555958 Å^3
• 极化表面积: 67.87 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 1.44
• LOG S: -3.07
• 极化表面积: 71.63 Å^2
• 可自由旋转的化学键: 8