N-benzyl-2-(2,5-dioxoimidazolidin-1-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide

• ChemBase ID: 477383
• Molecular Formular: C18H23N3O4
• Molecular Mass: 345.39292
• Monoisotopic Mass: 345.16885623
• SMILES: N1(C(=O)NCC1=O)CC(=O)N([C@H]1[C@H](O)CCCC1)Cc1ccccc1
• Canonical SMILES: O[C@@H]1CCCC[C@H]1N(C(=O)CN1C(=O)CNC1=O)Cc1ccccc1
• InChI: InChI=1S/C18H23N3O4/c22-15-9-5-4-8-14(15)20(11-13-6-2-1-3-7-13)17(24)12-21-16(23)10-19-18(21)25/h1-3,6-7,14-15,22H,4-5,8-12H2,(H,19,25)/t14-,15-/m1/s1
• InChIKey: VYMKPITZUOVMQC-HUUCEWRRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(2,5-dioxoimidazolidin-1-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
• IUPAC Traditional name: N-benzyl-2-(2,5-dioxoimidazolidin-1-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
• Synonyms: N-benzyl-2-(2,5-dioxo-1-imidazolidinyl)-N-[(1R*,2R*)-2-hydroxycyclohexyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.264145
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.34068838
• LogD (pH = 7.4): 0.3406826
• Log P: 0.34068847
• Molar Refractivity: 90.6313 cm^3
• Polarizability: 35.262955 Å^3
• Polar Surface Area: 89.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.31
• LOG S: -3.29
• Polar Surface Area: 89.95 Å^2
• Rotatable Bonds: 5