2,3,5,6-tetramethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

• ChemBase ID: 752262
• Molecular Formular: C16H23N3O2
• Molecular Mass: 289.37272
• Monoisotopic Mass: 289.17902699
• SMILES: C1(=O)N(CCNC(=O)c2c(c(cc(c2C)C)C)C)CCN1
• Canonical SMILES: O=C(c1c(C)c(C)cc(c1C)C)NCCN1CCNC1=O
• InChI: InChI=1S/C16H23N3O2/c1-10-9-11(2)13(4)14(12(10)3)15(20)17-5-7-19-8-6-18-16(19)21/h9H,5-8H2,1-4H3,(H,17,20)(H,18,21)
• InChIKey: CVMWRXITEAIFNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetramethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
• IUPAC Traditional name: 2,3,5,6-tetramethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
• Synonyms: 2,3,5,6-tetramethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.76957
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0653918
• LogD (pH = 7.4): 2.065392
• Log P: 2.0653923
• Molar Refractivity: 84.0926 cm^3
• Polarizability: 31.050947 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.6
• LOG S: -2.67
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4