N-cyclohexyl-3-(2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide

• ChemBase ID: 684245
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: N1C(=O)NC(C1=O)CCC(=O)N(Cc1ncccc1)C1CCCCC1
• Canonical SMILES: O=C1NC(=O)C(N1)CCC(=O)N(C1CCCCC1)Cc1ccccn1
• InChI: InChI=1S/C18H24N4O3/c23-16(10-9-15-17(24)21-18(25)20-15)22(14-7-2-1-3-8-14)12-13-6-4-5-11-19-13/h4-6,11,14-15H,1-3,7-10,12H2,(H2,20,21,24,25)
• InChIKey: ZQOYLYGMVOTTEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-(2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
• IUPAC Traditional name: N-cyclohexyl-3-(2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
• Synonyms: N-cyclohexyl-3-(2,5-dioxo-4-imidazolidinyl)-N-(2-pyridinylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.637714
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7756403
• LogD (pH = 7.4): 0.7906419
• Log P: 0.7933457
• Molar Refractivity: 90.8937 cm^3
• Polarizability: 35.575027 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: 0.24
• LOG S: -1.93
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 6