N-methyl-2-(morpholin-4-yl)-N-(3-phenoxypropyl)-2-(pyridin-3-yl)acetamide

• ChemBase编号: 539947
• 分子式: C21H27N3O3
• 平均质量: 369.45738
• 单一同位素质量: 369.20524174
• SMILES: C(=O)(C(N1CCOCC1)c1cnccc1)N(CCCOc1ccccc1)C
• Canonical SMILES: CN(C(=O)C(c1cccnc1)N1CCOCC1)CCCOc1ccccc1
• InChI: InChI=1S/C21H27N3O3/c1-23(11-6-14-27-19-8-3-2-4-9-19)21(25)20(18-7-5-10-22-17-18)24-12-15-26-16-13-24/h2-5,7-10,17,20H,6,11-16H2,1H3
• InChIKey: UTXGYQNKNRPKEX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(morpholin-4-yl)-N-(3-phenoxypropyl)-2-(pyridin-3-yl)acetamide
• IUPAC传统名: N-methyl-2-(morpholin-4-yl)-N-(3-phenoxypropyl)-2-(pyridin-3-yl)acetamide
• 别名: N-methyl-2-morpholin-4-yl-N-(3-phenoxypropyl)-2-pyridin-3-ylacetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.3362994
• LogD (pH = 7.4): 1.5101091
• Log P: 1.5128281
• 摩尔折射率: 104.3814 cm^3
• 极化性: 40.80962 Å^3
• 极化表面积: 54.9 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: 5
• 质子供体: 0
• Log P: 1.58
• LOG S: -1.94
• 极化表面积: 54.9 Å^2
• 可自由旋转的化学键: 8