N-cyclopentyl-4-(9H-fluoren-2-ylmethyl)morpholine-2-carboxamide

• ChemBase编号: 848094
• 分子式: C24H28N2O2
• 平均质量: 376.49132
• 单一同位素质量: 376.21507815
• SMILES: c12c(c3c(C1)cccc3)ccc(c2)CN1CC(C(=O)NC2CCCC2)OCC1
• Canonical SMILES: O=C(C1OCCN(C1)Cc1ccc2c(c1)Cc1c2cccc1)NC1CCCC1
• InChI: InChI=1S/C24H28N2O2/c27-24(25-20-6-2-3-7-20)23-16-26(11-12-28-23)15-17-9-10-22-19(13-17)14-18-5-1-4-8-21(18)22/h1,4-5,8-10,13,20,23H,2-3,6-7,11-12,14-16H2,(H,25,27)
• InChIKey: FVHUKVSAJXAHLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-4-(9H-fluoren-2-ylmethyl)morpholine-2-carboxamide
• IUPAC传统名: N-cyclopentyl-4-(9H-fluoren-2-ylmethyl)morpholine-2-carboxamide
• 别名: N-cyclopentyl-4-(9H-fluoren-2-ylmethyl)-2-morpholinecarboxamide

理论计算性质

JChem

• Acid pKa: 15.321076
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.4109445
• LogD (pH = 7.4): 3.7768729
• Log P: 3.9232907
• 摩尔折射率: 111.4526 cm^3
• 极化性: 44.56961 Å^3
• 极化表面积: 41.57 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: 1
• Log P: 3.62
• LOG S: -6.15
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 4