N-{1-oxa-8-azaspiro[4.5]decan-3-yl}-2-(4-phenylphenyl)acetamide

• ChemBase编号: 755559
• 分子式: C22H26N2O2
• 平均质量: 350.45404
• 单一同位素质量: 350.19942808
• SMILES: C(=O)(NC1CC2(OC1)CCNCC2)Cc1ccc(c2ccccc2)cc1
• Canonical SMILES: O=C(Cc1ccc(cc1)c1ccccc1)NC1COC2(C1)CCNCC2
• InChI: InChI=1S/C22H26N2O2/c25-21(24-20-15-22(26-16-20)10-12-23-13-11-22)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20,23H,10-16H2,(H,24,25)
• InChIKey: VOLXPMOQSPAKRQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{1-oxa-8-azaspiro[4.5]decan-3-yl}-2-(4-phenylphenyl)acetamide
• IUPAC传统名: N-{1-oxa-8-azaspiro[4.5]decan-3-yl}-2-(4-phenylphenyl)acetamide
• 别名: 2-biphenyl-4-yl-N-1-oxa-8-azaspiro[4.5]dec-3-ylacetamide

理论计算性质

JChem

• Acid pKa: 15.741023
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.0755491
• LogD (pH = 7.4): -0.3769397
• Log P: 2.143706
• 摩尔折射率: 102.8768 cm^3
• 极化性: 41.700817 Å^3
• 极化表面积: 50.36 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 2
• Log P: 2.29
• LOG S: -3.71
• 极化表面积: 50.36 Å^2
• 可自由旋转的化学键: 4