2-(dimethylamino)-N-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)acetamide

• ChemBase编号: 413925
• 分子式: C15H23FN2O2
• 平均质量: 282.3537232
• 单一同位素质量: 282.17435621
• SMILES: C(=O)(C(c1cc(F)ccc1)N(C)C)N(CCOC)CC
• Canonical SMILES: COCCN(C(=O)C(c1cccc(c1)F)N(C)C)CC
• InChI: InChI=1S/C15H23FN2O2/c1-5-18(9-10-20-4)15(19)14(17(2)3)12-7-6-8-13(16)11-12/h6-8,11,14H,5,9-10H2,1-4H3
• InChIKey: DZWIRBMADJBGHT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)-N-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)acetamide
• IUPAC传统名: 2-(dimethylamino)-N-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)acetamide
• 别名: 2-(dimethylamino)-N-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.23275848
• LogD (pH = 7.4): 1.564744
• Log P: 1.6975261
• 摩尔折射率: 78.0547 cm^3
• 极化性: 29.98864 Å^3
• 极化表面积: 32.78 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: 0
• Log P: 2.18
• LOG S: -3.12
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 7