N3,N3-bis(furan-2-ylmethyl)-N1,N1-dimethylpiperidine-1,3-dicarboxamide

• ChemBase编号: 817240
• 分子式: C19H25N3O4
• 平均质量: 359.4195
• 单一同位素质量: 359.1845063
• SMILES: C(=O)(N1CC(C(=O)N(Cc2occc2)Cc2occc2)CCC1)N(C)C
• Canonical SMILES: O=C(N(Cc1ccco1)Cc1ccco1)C1CCCN(C1)C(=O)N(C)C
• InChI: InChI=1S/C19H25N3O4/c1-20(2)19(24)21-9-3-6-15(12-21)18(23)22(13-16-7-4-10-25-16)14-17-8-5-11-26-17/h4-5,7-8,10-11,15H,3,6,9,12-14H2,1-2H3
• InChIKey: BEURUUFKQQYDRC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N3,N3-bis(furan-2-ylmethyl)-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• IUPAC传统名: N3,N3-bis(furan-2-ylmethyl)-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• 别名: N~3~,N~3~-bis(2-furylmethyl)-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.9697373
• LogD (pH = 7.4): 0.9697375
• Log P: 0.9697375
• 摩尔折射率: 96.5799 cm^3
• 极化性: 36.780033 Å^3
• 极化表面积: 70.14 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.59
• LOG S: -3.18
• 极化表面积: 70.14 Å^2
• 可自由旋转的化学键: 5