N-[2-(1H-indol-1-yl)ethyl]-N-methyl-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase编号: 763795
• 分子式: C20H29N3O2
• 平均质量: 343.46316
• 单一同位素质量: 343.22597718
• SMILES: n1(ccc2c1cccc2)CCN(C(=O)CC1CN(C(C)C)CCO1)C
• Canonical SMILES: O=C(N(CCn1ccc2c1cccc2)C)CC1OCCN(C1)C(C)C
• InChI: InChI=1S/C20H29N3O2/c1-16(2)23-12-13-25-18(15-23)14-20(24)21(3)10-11-22-9-8-17-6-4-5-7-19(17)22/h4-9,16,18H,10-15H2,1-3H3
• InChIKey: HZAKYGNHZVSUQR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1H-indol-1-yl)ethyl]-N-methyl-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC传统名: N-[2-(indol-1-yl)ethyl]-2-(4-isopropylmorpholin-2-yl)-N-methylacetamide
• 别名: N-[2-(1H-indol-1-yl)ethyl]-2-(4-isopropylmorpholin-2-yl)-N-methylacetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.3269058
• LogD (pH = 7.4): 1.9496607
• Log P: 2.2843835
• 摩尔折射率: 100.372 cm^3
• 极化性: 40.346718 Å^3
• 极化表面积: 37.71 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.26
• LOG S: -3.63
• 极化表面积: 37.71 Å^2
• 可自由旋转的化学键: 6