N,N-dimethyl-2-{methyl[2-methyl-2-(morpholin-4-yl)propyl]amino}propanamide

• ChemBase编号: 368286
• 分子式: C14H29N3O2
• 平均质量: 271.39896
• 单一同位素质量: 271.22597718
• SMILES: C(=O)(C(N(CC(N1CCOCC1)(C)C)C)C)N(C)C
• Canonical SMILES: CN(C(C(=O)N(C)C)C)CC(N1CCOCC1)(C)C
• InChI: InChI=1S/C14H29N3O2/c1-12(13(18)15(4)5)16(6)11-14(2,3)17-7-9-19-10-8-17/h12H,7-11H2,1-6H3
• InChIKey: FBHHTMUXCPAFJR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-{methyl[2-methyl-2-(morpholin-4-yl)propyl]amino}propanamide
• IUPAC传统名: N,N-dimethyl-2-{methyl[2-methyl-2-(morpholin-4-yl)propyl]amino}propanamide
• 别名: N,N-dimethyl-2-[methyl(2-methyl-2-morpholin-4-ylpropyl)amino]propanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.4462125
• LogD (pH = 7.4): -0.67146367
• Log P: 0.3746223
• 摩尔折射率: 78.3328 cm^3
• 极化性: 30.739689 Å^3
• 极化表面积: 36.02 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: 4
• 质子供体: 0
• Log P: 0.35
• LOG S: -2.79
• 极化表面积: 36.02 Å^2
• 可自由旋转的化学键: 5