N-{[1-(3,5-dimethylphenyl)cyclopentyl]methyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 730220
• Molecular Formular: C20H27N3O3
• Molecular Mass: 357.44668
• Monoisotopic Mass: 357.20524174
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCC1(c2cc(cc(c2)C)C)CCCC1
• Canonical SMILES: O=C(NCC1(CCCC1)c1cc(C)cc(c1)C)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C20H27N3O3/c1-13-9-14(2)11-15(10-13)20(7-3-4-8-20)12-21-17(24)6-5-16-18(25)23-19(26)22-16/h9-11,16H,3-8,12H2,1-2H3,(H,21,24)(H2,22,23,25,26)
• InChIKey: CYDSGKOIBCJBQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(3,5-dimethylphenyl)cyclopentyl]methyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-{[1-(3,5-dimethylphenyl)cyclopentyl]methyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-{[1-(3,5-dimethylphenyl)cyclopentyl]methyl}-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.638681
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.3904574
• LogD (pH = 7.4): 2.388018
• Log P: 2.3904886
• Molar Refractivity: 98.7688 cm^3
• Polarizability: 38.13611 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.09
• LOG S: -3.59
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 6