N-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide

• ChemBase编号: 379421
• 分子式: C23H34N2O4
• 平均质量: 402.52706
• 单一同位素质量: 402.25185758
• SMILES: N(C(=O)C1CCC1)(Cc1ccc(cc1)OCCN1CCOCC1)CC1OCCC1
• Canonical SMILES: O=C(C1CCC1)N(Cc1ccc(cc1)OCCN1CCOCC1)CC1CCCO1
• InChI: InChI=1S/C23H34N2O4/c26-23(20-3-1-4-20)25(18-22-5-2-13-28-22)17-19-6-8-21(9-7-19)29-16-12-24-10-14-27-15-11-24/h6-9,20,22H,1-5,10-18H2
• InChIKey: YAFAEDDHCDIIAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
• IUPAC传统名: N-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
• 别名: N-{4-[2-(4-morpholinyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)cyclobutanecarboxamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.2360907
• LogD (pH = 7.4): 2.3537524
• Log P: 2.4269636
• 摩尔折射率: 112.6836 cm^3
• 极化性: 44.24361 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: 2.83
• LOG S: -1.94
• 极化表面积: 51.24 Å^2
• 可自由旋转的化学键: 9