N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 733681
• Molecular Formular: C20H27N3O3
• Molecular Mass: 357.44668
• Monoisotopic Mass: 357.20524174
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NC(CC1Cc2c(C1)cccc2)(C)C)C)C
• Canonical SMILES: CN1C(=O)N(C(=O)C1CC(=O)NC(CC1Cc2c(C1)cccc2)(C)C)C
• InChI: InChI=1S/C20H27N3O3/c1-20(2,12-13-9-14-7-5-6-8-15(14)10-13)21-17(24)11-16-18(25)23(4)19(26)22(16)3/h5-8,13,16H,9-12H2,1-4H3,(H,21,24)
• InChIKey: NUILPZYTUDYSNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]-2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.190521
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8323866
• LogD (pH = 7.4): 1.8323866
• Log P: 1.8323867
• Molar Refractivity: 98.9009 cm^3
• Polarizability: 38.13745 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.29
• LOG S: -2.91
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 5