{2-[4-(4-ethenylbenzoyl)morpholin-2-yl]ethyl}dimethylamine

• ChemBase编号: 394994
• 分子式: C17H24N2O2
• 平均质量: 288.38466
• 单一同位素质量: 288.18377802
• SMILES: N1(C(=O)c2ccc(C=C)cc2)CC(OCC1)CCN(C)C
• Canonical SMILES: C=Cc1ccc(cc1)C(=O)N1CCOC(C1)CCN(C)C
• InChI: InChI=1S/C17H24N2O2/c1-4-14-5-7-15(8-6-14)17(20)19-11-12-21-16(13-19)9-10-18(2)3/h4-8,16H,1,9-13H2,2-3H3
• InChIKey: HMFBOWSODGNWHK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[4-(4-ethenylbenzoyl)morpholin-2-yl]ethyl}dimethylamine
• IUPAC传统名: {2-[4-(4-ethenylbenzoyl)morpholin-2-yl]ethyl}dimethylamine
• 别名: N,N-dimethyl-2-[4-(4-vinylbenzoyl)-2-morpholinyl]ethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.3339801
• LogD (pH = 7.4): 0.1930799
• Log P: 1.9278111
• 摩尔折射率: 86.2453 cm^3
• 极化性: 32.89763 Å^3
• 极化表面积: 32.78 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: 3
• 质子供体: 0
• Log P: 1.96
• LOG S: -1.67
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 4