N-(cyclohex-1-en-1-ylmethyl)-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 437840
• Molecular Formular: C13H19N3O3
• Molecular Mass: 265.30826
• Monoisotopic Mass: 265.14264148
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCC1=CCCCC1
• Canonical SMILES: O=C(NCC1=CCCCC1)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C13H19N3O3/c17-11(14-8-9-4-2-1-3-5-9)7-6-10-12(18)16-13(19)15-10/h4,10H,1-3,5-8H2,(H,14,17)(H2,15,16,18,19)
• InChIKey: FWWFJVTURYQAHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohex-1-en-1-ylmethyl)-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-(cyclohex-1-en-1-ylmethyl)-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-(1-cyclohexen-1-ylmethyl)-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.638409
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.031247264
• LogD (pH = 7.4): -0.03368842
• Log P: -0.031215962
• Molar Refractivity: 69.5673 cm^3
• Polarizability: 26.663288 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.07
• LOG S: -2.5
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 5