ChemSpider 2D Image | Methyl 2-({2-methyl-N-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoyl]alanyl}amino)benzoate | C24H29N3O6

Methyl 2-({2-methyl-N-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoyl]alanyl}amino)benzoate

  • Molecular FormulaC24H29N3O6
  • Average mass455.504 Da
  • Monoisotopic mass455.205627 Da
  • ChemSpider ID30660349

More details:

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

2-({2-Méthyl-N-[2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)benzoyl]alanyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]benzoyl]amino]-2-methyl-1-oxopropyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({2-methyl-N-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoyl]alanyl}amino)benzoate [ACD/IUPAC Name]
Methyl-2-({2-methyl-N-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoyl]alanyl}amino)benzoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 629.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.2±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1403.16
ACD/KOC (pH 5.5): 6227.26
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1403.11
ACD/KOC (pH 7.4): 6227.07
Polar Surface Area: 123 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 367.2±3.0 cm3

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