N-[(2,2-dimethyloxan-4-yl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]furan-2-carboxamide

• ChemBase编号: 197353
• 分子式: C23H33NO4
• 平均质量: 387.51242
• 单一同位素质量: 387.24095854
• SMILES: C(=O)(N(CC1CC(OCC1)(C)C)CCC(c1occc1)C(C)C)c1occc1
• Canonical SMILES: CC(C(c1ccco1)CCN(C(=O)c1ccco1)CC1CCOC(C1)(C)C)C
• InChI: InChI=1S/C23H33NO4/c1-17(2)19(20-7-5-12-26-20)9-11-24(22(25)21-8-6-13-27-21)16-18-10-14-28-23(3,4)15-18/h5-8,12-13,17-19H,9-11,14-16H2,1-4H3
• InChIKey: HRBJKSOWVORBJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2,2-dimethyloxan-4-yl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]furan-2-carboxamide
• IUPAC传统名: N-[(2,2-dimethyloxan-4-yl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]furan-2-carboxamide

登记号

• PubChem SID: 164253263
• PubChem CID: 3792654

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.9090261
• LogD (pH = 7.4): 3.9090261
• Log P: 3.9090261
• 摩尔折射率: 109.8059 cm^3
• 极化性: 42.240467 Å^3
• 极化表面积: 55.82 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds