N-methyl-2-(morpholin-4-yl)-N-[2-(pyridin-2-yl)ethyl]-2-(pyridin-3-yl)acetamide

• ChemBase编号: 320856
• 分子式: C19H24N4O2
• 平均质量: 340.41946
• 单一同位素质量: 340.18992603
• SMILES: C(=O)(C(N1CCOCC1)c1cnccc1)N(CCc1ncccc1)C
• Canonical SMILES: CN(C(=O)C(c1cccnc1)N1CCOCC1)CCc1ccccn1
• InChI: InChI=1S/C19H24N4O2/c1-22(10-7-17-6-2-3-9-21-17)19(24)18(16-5-4-8-20-15-16)23-11-13-25-14-12-23/h2-6,8-9,15,18H,7,10-14H2,1H3
• InChIKey: ZQZIJBNDVUWVSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(morpholin-4-yl)-N-[2-(pyridin-2-yl)ethyl]-2-(pyridin-3-yl)acetamide
• IUPAC传统名: N-methyl-2-(morpholin-4-yl)-N-[2-(pyridin-2-yl)ethyl]-2-(pyridin-3-yl)acetamide
• 别名: N-methyl-2-(4-morpholinyl)-2-(3-pyridinyl)-N-[2-(2-pyridinyl)ethyl]acetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.42442444
• LogD (pH = 7.4): 0.6310003
• Log P: 0.63410413
• 摩尔折射率: 95.5967 cm^3
• 极化性: 37.390934 Å^3
• 极化表面积: 58.56 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.04
• LOG S: -1.73
• 极化表面积: 58.56 Å^2
• 可自由旋转的化学键: 6