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

• ChemBase ID: 841801
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1ccccc1)CCC1=CCCCC1)C)C
• Canonical SMILES: O=C(N(Cc1ccccc1)CCC1=CCCCC1)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C22H29N3O3/c1-23-19(21(27)24(2)22(23)28)15-20(26)25(16-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h4,7-9,11-12,19H,3,5-6,10,13-16H2,1-2H3
• InChIKey: HKYJDRNNIMIBSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.176816
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3642852
• LogD (pH = 7.4): 2.3642852
• Log P: 2.3642855
• Molar Refractivity: 108.87 cm^3
• Polarizability: 41.720856 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.43
• LOG S: -4.07
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 7