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

• ChemBase编号: 699058
• 分子式: C26H34N2O4
• 平均质量: 438.55916
• 单一同位素质量: 438.25185758
• SMILES: N(C(=O)c1ccc(cc1)C)(Cc1ccc(cc1)OCCN1CCOCC1)CC1OCCC1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(Cc1ccc(cc1)OCCN1CCOCC1)CC1CCCO1
• InChI: InChI=1S/C26H34N2O4/c1-21-4-8-23(9-5-21)26(29)28(20-25-3-2-15-31-25)19-22-6-10-24(11-7-22)32-18-14-27-12-16-30-17-13-27/h4-11,25H,2-3,12-20H2,1H3
• InChIKey: DMNDAVCQYQYQRM-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.37933
• LogD (pH = 7.4): 3.4969845
• Log P: 3.5701945
• 摩尔折射率: 126.3951 cm^3
• 极化性: 48.742916 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: 4.07
• LOG S: -3.25
• 极化表面积: 51.24 Å^2
• 可自由旋转的化学键: 9