N-[2-(4-cyclohexylmorpholin-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

• ChemBase编号: 860059
• 分子式: C18H31N3O3
• 平均质量: 337.45704
• 单一同位素质量: 337.23654187
• SMILES: N1(C(=O)CCC1)CC(=O)NCCC1CN(C2CCCCC2)CCO1
• Canonical SMILES: O=C(CN1CCCC1=O)NCCC1OCCN(C1)C1CCCCC1
• InChI: InChI=1S/C18H31N3O3/c22-17(14-21-10-4-7-18(21)23)19-9-8-16-13-20(11-12-24-16)15-5-2-1-3-6-15/h15-16H,1-14H2,(H,19,22)
• InChIKey: ZVLLDJAJKUYPJX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(4-cyclohexylmorpholin-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
• IUPAC传统名: N-[2-(4-cyclohexylmorpholin-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
• 别名: N-[2-(4-cyclohexylmorpholin-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

理论计算性质

JChem

• Acid pKa: 15.688537
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.5253766
• LogD (pH = 7.4): -0.75936955
• Log P: 0.25792494
• 摩尔折射率: 92.6015 cm^3
• 极化性: 36.349434 Å^3
• 极化表面积: 61.88 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: 4
• 质子供体: 1
• Log P: 0.41
• LOG S: -2.01
• 极化表面积: 61.88 Å^2
• 可自由旋转的化学键: 6