2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 830009
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: N1C(=O)NC(C1=O)CC(=O)N(Cc1ncccc1)CC(C)C
• Canonical SMILES: CC(CN(C(=O)CC1NC(=O)NC1=O)Cc1ccccn1)C
• InChI: InChI=1S/C15H20N4O3/c1-10(2)8-19(9-11-5-3-4-6-16-11)13(20)7-12-14(21)18-15(22)17-12/h3-6,10,12H,7-9H2,1-2H3,(H2,17,18,21,22)
• InChIKey: FFVRMHCCBCITBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-4-yl)-N-isobutyl-N-(pyridin-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.629987
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.06800123
• LogD (pH = 7.4): -0.053031158
• Log P: -0.050282862
• Molar Refractivity: 78.8687 cm^3
• Polarizability: 30.79394 Å^3
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.28
• LOG S: -1.19
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6