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

• ChemBase编号: 436637
• 分子式: C21H28N2O4
• 平均质量: 372.45802
• 单一同位素质量: 372.20490739
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)N(CCOc1c(OCC)cccc1)C
• Canonical SMILES: CCOc1ccccc1OCCN(C(=O)c1c(C)cc(n(c1=O)CC)C)C
• InChI: InChI=1S/C21H28N2O4/c1-6-23-16(4)14-15(3)19(21(23)25)20(24)22(5)12-13-27-18-11-9-8-10-17(18)26-7-2/h8-11,14H,6-7,12-13H2,1-5H3
• InChIKey: QZUOBMNWNXBGAZ-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.1136184
• LogD (pH = 7.4): 2.1136189
• Log P: 2.1136189
• 摩尔折射率: 107.2456 cm^3
• 极化性: 40.5146 Å^3
• 极化表面积: 59.08 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: 0
• Log P: 2.77
• LOG S: -4.28
• 极化表面积: 60.77 Å^2
• 可自由旋转的化学键: 8