2,3,5,6-tetramethyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide

• ChemBase ID: 698369
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: C(=O)(c1c(c(cc(c1C)C)C)C)NC1CC(=O)N(C1)CCC
• Canonical SMILES: CCCN1CC(CC1=O)NC(=O)c1c(C)c(C)cc(c1C)C
• InChI: InChI=1S/C18H26N2O2/c1-6-7-20-10-15(9-16(20)21)19-18(22)17-13(4)11(2)8-12(3)14(17)5/h8,15H,6-7,9-10H2,1-5H3,(H,19,22)
• InChIKey: FNDQCCZFRBRTOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetramethyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
• IUPAC Traditional name: 2,3,5,6-tetramethyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
• Synonyms: 2,3,5,6-tetramethyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.84382
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2242253
• LogD (pH = 7.4): 3.2242258
• Log P: 3.2242258
• Molar Refractivity: 89.5713 cm^3
• Polarizability: 33.58766 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.61
• LOG S: -4.49
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4