N-[2-(benzyloxy)ethyl]-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 711697
• 分子式: C19H24N2O3
• 平均质量: 328.40546
• 单一同位素质量: 328.17869264
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)NCCOCc1ccccc1
• Canonical SMILES: CCn1c(C)cc(c(c1=O)C(=O)NCCOCc1ccccc1)C
• InChI: InChI=1S/C19H24N2O3/c1-4-21-15(3)12-14(2)17(19(21)23)18(22)20-10-11-24-13-16-8-6-5-7-9-16/h5-9,12H,4,10-11,13H2,1-3H3,(H,20,22)
• InChIKey: HRIZLODSNLHBDZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(benzyloxy)ethyl]-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: N-[2-(benzyloxy)ethyl]-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
• 别名: N-[2-(benzyloxy)ethyl]-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

理论计算性质

JChem

• Acid pKa: 15.347084
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.7242539
• LogD (pH = 7.4): 1.724254
• Log P: 1.724254
• 摩尔折射率: 96.241 cm^3
• 极化性: 36.16086 Å^3
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.44
• LOG S: -3.68
• 极化表面积: 60.33 Å^2
• 可自由旋转的化学键: 7