2-methoxy-N-methyl-2-phenyl-N-(quinolin-5-ylmethyl)acetamide

• ChemBase编号: 778900
• 分子式: C20H20N2O2
• 平均质量: 320.385
• 单一同位素质量: 320.15247789
• SMILES: C(=O)(N(Cc1c2c(nccc2)ccc1)C)C(c1ccccc1)OC
• Canonical SMILES: COC(C(=O)N(Cc1cccc2c1cccn2)C)c1ccccc1
• InChI: InChI=1S/C20H20N2O2/c1-22(20(23)19(24-2)15-8-4-3-5-9-15)14-16-10-6-12-18-17(16)11-7-13-21-18/h3-13,19H,14H2,1-2H3
• InChIKey: FGYUOUBAMKEMPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-N-methyl-2-phenyl-N-(quinolin-5-ylmethyl)acetamide
• IUPAC传统名: 2-methoxy-N-methyl-2-phenyl-N-(quinolin-5-ylmethyl)acetamide
• 别名: 2-methoxy-N-methyl-2-phenyl-N-(5-quinolinylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.0434146
• LogD (pH = 7.4): 3.0612667
• Log P: 3.0614994
• 摩尔折射率: 93.6045 cm^3
• 极化性: 37.676342 Å^3
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.96
• LOG S: -4.06
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 5