N-[2-(benzyloxy)ethyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide

• ChemBase编号: 710464
• 分子式: C19H23FN2O2
• 平均质量: 330.3965232
• 单一同位素质量: 330.17435621
• SMILES: c1(C(C(=O)NCCOCc2ccccc2)N(C)C)c(F)cccc1
• Canonical SMILES: Fc1ccccc1C(C(=O)NCCOCc1ccccc1)N(C)C
• InChI: InChI=1S/C19H23FN2O2/c1-22(2)18(16-10-6-7-11-17(16)20)19(23)21-12-13-24-14-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3,(H,21,23)
• InChIKey: WSBBZQDXOBHHNG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(benzyloxy)ethyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
• IUPAC传统名: N-[2-(benzyloxy)ethyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
• 别名: N-[2-(benzyloxy)ethyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.370918
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.031752
• LogD (pH = 7.4): 2.8126318
• Log P: 2.841515
• 摩尔折射率: 93.022 cm^3
• 极化性: 35.881084 Å^3
• 极化表面积: 41.57 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: 1
• Log P: 3.08
• LOG S: -4.24
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 8