N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 495555
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCCC1=CCCCC1)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCCC1=CCCCC1
• InChI: InChI=1S/C15H23N3O3/c1-17-12(14(20)18(2)15(17)21)10-13(19)16-9-8-11-6-4-3-5-7-11/h6,12H,3-5,7-10H2,1-2H3,(H,16,19)
• InChIKey: RYJJEJIRKZIUNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-[2-(1-cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 0.33
• LOG S: -2.93

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.203649
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.41613615
• LogD (pH = 7.4): 0.41613612
• Log P: 0.41613618
• Molar Refractivity: 79.3607 cm^3
• Polarizability: 30.325369 Å^3
• Polar Surface Area: 69.72 Å^2