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

• ChemBase ID: 833742
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NC(CC1Cc2c(C1)cccc2)(C)C
• Canonical SMILES: O=C(NC(CC1Cc2c(C1)cccc2)(C)C)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C19H25N3O3/c1-19(2,11-12-9-13-5-3-4-6-14(13)10-12)22-16(23)8-7-15-17(24)21-18(25)20-15/h3-6,12,15H,7-11H2,1-2H3,(H,22,23)(H2,20,21,24,25)
• InChIKey: KIXNNPXLUFJPFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.638837
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.6736645
• LogD (pH = 7.4): 1.6712258
• Log P: 1.6736958
• Molar Refractivity: 93.8625 cm^3
• Polarizability: 36.30053 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: 1.47
• LOG S: -2.96
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 6