N-(oxolan-2-ylmethyl)-N-({4-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)furan-2-carboxamide

• ChemBase编号: 433572
• 分子式: C24H32N2O4
• 平均质量: 412.52188
• 单一同位素质量: 412.23620751
• SMILES: N(C(=O)c1occc1)(Cc1ccc(cc1)OCCN1CCCCC1)CC1OCCC1
• Canonical SMILES: O=C(c1ccco1)N(Cc1ccc(cc1)OCCN1CCCCC1)CC1CCCO1
• InChI: InChI=1S/C24H32N2O4/c27-24(23-7-5-16-30-23)26(19-22-6-4-15-28-22)18-20-8-10-21(11-9-20)29-17-14-25-12-2-1-3-13-25/h5,7-11,16,22H,1-4,6,12-15,17-19H2
• InChIKey: GLYZFWSCPRCOSF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(oxolan-2-ylmethyl)-N-({4-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)furan-2-carboxamide
• IUPAC传统名: N-(oxolan-2-ylmethyl)-N-({4-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)furan-2-carboxamide
• 别名: N-{4-[2-(1-piperidinyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)-2-furamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.06367029
• LogD (pH = 7.4): 1.7181617
• Log P: 3.1858864
• 摩尔折射率: 116.8123 cm^3
• 极化性: 45.00376 Å^3
• 极化表面积: 55.15 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: 3.96
• LOG S: -3.54
• 极化表面积: 55.15 Å^2
• 可自由旋转的化学键: 9