N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 359988
• Molecular Formular: C15H26N4O3
• Molecular Mass: 310.39194
• Monoisotopic Mass: 310.20049071
• SMILES: N1C(=O)NC(C1=O)CC(=O)NC(CN1CCCCCC1)(C)C
• Canonical SMILES: O=C(NC(CN1CCCCCC1)(C)C)CC1NC(=O)NC1=O
• InChI: InChI=1S/C15H26N4O3/c1-15(2,10-19-7-5-3-4-6-8-19)18-12(20)9-11-13(21)17-14(22)16-11/h11H,3-10H2,1-2H3,(H,18,20)(H2,16,17,21,22)
• InChIKey: MFZCDIPRVWUTFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-(2-azepan-1-yl-1,1-dimethylethyl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.869738
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.475451
• LogD (pH = 7.4): -2.1763744
• Log P: -0.7239025
• Molar Refractivity: 82.1134 cm^3
• Polarizability: 32.102024 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.15
• LOG S: -2.65
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5