ChemSpider 2D Image | N-(2-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[(1S)-2-[(3-methylbutyl)amino]-1-(2-methylphenyl)-2-oxoethyl]acetamide | C30H33N5O3

N-(2-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[(1S)-2-[(3-methylbutyl)amino]-1-(2-methylphenyl)-2-oxoethyl]acetamide

  • Molecular FormulaC30H33N5O3
  • Average mass511.615 Da
  • Monoisotopic mass511.258331 Da
  • ChemSpider ID62611295

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-1,2,3-Benzotriazole-1-acetamide, N-(2-acetylphenyl)-N-[(1S)-2-[(3-methylbutyl)amino]-1-(2-methylphenyl)-2-oxoethyl]- [ACD/Index Name]
N-(2-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[(1S)-2-[(3-methylbutyl)amino]-1-(2-methylphenyl)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]
N-(2-Acetylphenyl)-2-(1H-benzotriazol-1-yl)-N-[(1S)-2-[(3-methylbutyl)amino]-1-(2-methylphenyl)-2-oxoethyl]acetamide [ACD/IUPAC Name]
N-(2-Acétylphényl)-2-(1H-benzotriazol-1-yl)-N-[(1S)-2-[(3-méthylbutyl)amino]-1-(2-méthylphényl)-2-oxoéthyl]acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 762.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.1±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 149.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 496.74
ACD/KOC (pH 5.5): 2961.33
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 496.76
ACD/KOC (pH 7.4): 2961.45
Polar Surface Area: 97 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 424.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement