N-[1-(2,5-dimethylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 497829
• Molecular Formular: C15H19N3O3
• Molecular Mass: 289.32966
• Monoisotopic Mass: 289.14264148
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC(c1c(ccc(c1)C)C)C
• Canonical SMILES: O=C(NC(c1cc(C)ccc1C)C)CN1C(=O)CNC1=O
• InChI: InChI=1S/C15H19N3O3/c1-9-4-5-10(2)12(6-9)11(3)17-13(19)8-18-14(20)7-16-15(18)21/h4-6,11H,7-8H2,1-3H3,(H,16,21)(H,17,19)
• InChIKey: FBMVEYZVSLFPHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,5-dimethylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[1-(2,5-dimethylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[1-(2,5-dimethylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.181747
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8360632
• LogD (pH = 7.4): 0.8360562
• Log P: 0.83606327
• Molar Refractivity: 77.8601 cm^3
• Polarizability: 29.677025 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.74
• LOG S: -1.94
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4