N-(propan-2-yl)-2-[(2,4,6-trimethylphenyl)formamido]acetamide

• ChemBase ID: 340485
• Molecular Formular: C15H22N2O2
• Molecular Mass: 262.34738
• Monoisotopic Mass: 262.16812795
• SMILES: c1(c(cc(cc1C)C)C)C(=O)NCC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)CNC(=O)c1c(C)cc(cc1C)C)C
• InChI: InChI=1S/C15H22N2O2/c1-9(2)17-13(18)8-16-15(19)14-11(4)6-10(3)7-12(14)5/h6-7,9H,8H2,1-5H3,(H,16,19)(H,17,18)
• InChIKey: XKPGENFHUVUENJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-2-[(2,4,6-trimethylphenyl)formamido]acetamide
• IUPAC Traditional name: N-isopropyl-2-[(2,4,6-trimethylphenyl)formamido]acetamide
• Synonyms: N-[2-(isopropylamino)-2-oxoethyl]-2,4,6-trimethylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.392561
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.255926
• LogD (pH = 7.4): 2.2559261
• Log P: 2.2559261
• Molar Refractivity: 77.1276 cm^3
• Polarizability: 28.870628 Å^3
• Polar Surface Area: 58.2 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: 2.31
• LOG S: -3.09
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4