2-(morpholin-4-yl)-N-(2-phenoxyethyl)-2-(pyridin-3-yl)acetamide

• ChemBase编号: 378646
• 分子式: C19H23N3O3
• 平均质量: 341.40422
• 单一同位素质量: 341.17394161
• SMILES: N1(C(C(=O)NCCOc2ccccc2)c2cnccc2)CCOCC1
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)NCCOc1ccccc1
• InChI: InChI=1S/C19H23N3O3/c23-19(21-9-12-25-17-6-2-1-3-7-17)18(16-5-4-8-20-15-16)22-10-13-24-14-11-22/h1-8,15,18H,9-14H2,(H,21,23)
• InChIKey: GJPXLOSTLBGUEU-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 14.952239
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.1319336
• LogD (pH = 7.4): 1.2278291
• Log P: 1.2291924
• 摩尔折射率: 94.6193 cm^3
• 极化性: 37.12771 Å^3
• 极化表面积: 63.69 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: 5
• 质子供体: 1
• Log P: 1.15
• LOG S: -1.37
• 极化表面积: 63.69 Å^2
• 可自由旋转的化学键: 7