2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{3-[methyl(phenyl)amino]propyl}acetamide

• ChemBase ID: 405132
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCCCN(c1ccccc1)C)C)C
• Canonical SMILES: CN(c1ccccc1)CCCNC(=O)CC1C(=O)N(C(=O)N1C)C
• InChI: InChI=1S/C17H24N4O3/c1-19(13-8-5-4-6-9-13)11-7-10-18-15(22)12-14-16(23)21(3)17(24)20(14)2/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,22)
• InChIKey: OUVLBGGVFIGFEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{3-[methyl(phenyl)amino]propyl}acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{3-[methyl(phenyl)amino]propyl}acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-{3-[methyl(phenyl)amino]propyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.20555
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.04238329
• LogD (pH = 7.4): 0.3058931
• Log P: 0.31054193
• Molar Refractivity: 91.4707 cm^3
• Polarizability: 34.653828 Å^3
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.15
• LOG S: -2.81
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 7