N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2-(pyridin-4-yl)acetamide

• ChemBase编号: 706453
• 分子式: C19H24N2O2
• 平均质量: 312.40606
• 单一同位素质量: 312.18377802
• SMILES: C(=O)(N(Cc1ccc(cc1)CC)CCOC)Cc1ccncc1
• Canonical SMILES: COCCN(C(=O)Cc1ccncc1)Cc1ccc(cc1)CC
• InChI: InChI=1S/C19H24N2O2/c1-3-16-4-6-18(7-5-16)15-21(12-13-23-2)19(22)14-17-8-10-20-11-9-17/h4-11H,3,12-15H2,1-2H3
• InChIKey: QTZFKRSIUQOHIG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2-(pyridin-4-yl)acetamide
• IUPAC传统名: N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2-(pyridin-4-yl)acetamide
• 别名: N-(4-ethylbenzyl)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.5558953
• LogD (pH = 7.4): 2.6675348
• Log P: 2.6692188
• 摩尔折射率: 92.1226 cm^3
• 极化性: 35.576767 Å^3
• 极化表面积: 42.43 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: 3
• 质子供体: 0
• Log P: 2.52
• LOG S: -2.33
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 8