N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 400119
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCC1(C(C1)(C)C)c1ccccc1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCC1(CC1(C)C)c1ccccc1
• InChI: InChI=1S/C17H21N3O3/c1-16(2)10-17(16,12-6-4-3-5-7-12)11-19-13(21)9-20-14(22)8-18-15(20)23/h3-7H,8-11H2,1-2H3,(H,18,23)(H,19,21)
• InChIKey: PSQKKPJUDVIOJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.233146
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5476206
• LogD (pH = 7.4): 0.5476144
• Log P: 0.54762065
• Molar Refractivity: 84.2051 cm^3
• Polarizability: 32.778416 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.07
• LOG S: -2.41
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 5