N-[2-(3-ethoxyphenoxy)ethyl]-N-methyl-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase编号: 832380
• 分子式: C20H32N2O4
• 平均质量: 364.47908
• 单一同位素质量: 364.23620751
• SMILES: C(=O)(CC1CN(C(C)C)CCO1)N(CCOc1cc(OCC)ccc1)C
• Canonical SMILES: CCOc1cccc(c1)OCCN(C(=O)CC1OCCN(C1)C(C)C)C
• InChI: InChI=1S/C20H32N2O4/c1-5-24-17-7-6-8-18(13-17)25-11-9-21(4)20(23)14-19-15-22(16(2)3)10-12-26-19/h6-8,13,16,19H,5,9-12,14-15H2,1-4H3
• InChIKey: RIRFDBVGNDTNTF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(3-ethoxyphenoxy)ethyl]-N-methyl-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC传统名: N-[2-(3-ethoxyphenoxy)ethyl]-2-(4-isopropylmorpholin-2-yl)-N-methylacetamide
• 别名: N-[2-(3-ethoxyphenoxy)ethyl]-2-(4-isopropylmorpholin-2-yl)-N-methylacetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.04593316
• LogD (pH = 7.4): 1.668688
• Log P: 2.0034108
• 摩尔折射率: 102.0638 cm^3
• 极化性: 40.16392 Å^3
• 极化表面积: 51.24 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.49
• LOG S: -4.84
• 极化表面积: 51.24 Å^2
• 可自由旋转的化学键: 9