N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide

• ChemBase ID: 477145
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: N1(C(=O)NCC1=O)CC(=O)N(CC1CN(Cc2ccccc2)CC1)C
• Canonical SMILES: CN(C(=O)CN1C(=O)CNC1=O)CC1CCN(C1)Cc1ccccc1
• InChI: InChI=1S/C18H24N4O3/c1-20(17(24)13-22-16(23)9-19-18(22)25)10-15-7-8-21(12-15)11-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,19,25)
• InChIKey: WMLVBBPHXGOXOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
• IUPAC Traditional name: N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
• Synonyms: N-[(1-benzyl-3-pyrrolidinyl)methyl]-2-(2,5-dioxo-1-imidazolidinyl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): -3.5581965
• LogD (pH = 7.4): -2.0275059
• Log P: -0.29928353
• Molar Refractivity: 93.8249 cm^3
• Polarizability: 36.14223 Å^3
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 12.1817465
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 1
• Log P: -0.25
• LOG S: -2.81
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4