N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyl-N-(2,4,6-trimethylphenyl)butanediamide

• ChemBase ID: 534628
• Molecular Formular: C24H32N2O3
• Molecular Mass: 396.52248
• Monoisotopic Mass: 396.24129289
• SMILES: c1(NC(=O)CCC(=O)N(C(Cc2c(OC)cccc2)C)C)c(cc(cc1C)C)C
• Canonical SMILES: COc1ccccc1CC(N(C(=O)CCC(=O)Nc1c(C)cc(cc1C)C)C)C
• InChI: InChI=1S/C24H32N2O3/c1-16-13-17(2)24(18(3)14-16)25-22(27)11-12-23(28)26(5)19(4)15-20-9-7-8-10-21(20)29-6/h7-10,13-14,19H,11-12,15H2,1-6H3,(H,25,27)
• InChIKey: GBOMXCOFWGWZGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyl-N-(2,4,6-trimethylphenyl)butanediamide
• IUPAC Traditional name: N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyl-N-(2,4,6-trimethylphenyl)succinamide
• Synonyms: N'-mesityl-N-[2-(2-methoxyphenyl)-1-methylethyl]-N-methylsuccinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.908434
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.4885306
• LogD (pH = 7.4): 4.4885306
• Log P: 4.4885306
• Molar Refractivity: 118.8031 cm^3
• Polarizability: 44.871895 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.41
• LOG S: -5.0
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8