ChemSpider 2D Image | N-(3-Methylbutyl)-3-(4-pyridinyl)alanyl-4-(benzylamino)-N-(2-methyl-2-propanyl)phenylalaninamide | C33H45N5O2

N-(3-Methylbutyl)-3-(4-pyridinyl)alanyl-4-(benzylamino)-N-(2-methyl-2-propanyl)phenylalaninamide

  • Molecular FormulaC33H45N5O2
  • Average mass543.743 Da
  • Monoisotopic mass543.357300 Da
  • ChemSpider ID8487276

More details:

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

N-(3-Methylbutyl)-3-(4-pyridinyl)alanyl-4-(benzylamino)-N-(2-methyl-2-propanyl)phenylalaninamid [German] [ACD/IUPAC Name]
N-(3-Methylbutyl)-3-(4-pyridinyl)alanyl-4-(benzylamino)-N-(2-methyl-2-propanyl)phenylalaninamide [ACD/IUPAC Name]
N-(3-Méthylbutyl)-3-(4-pyridinyl)alanyl-4-(benzylamino)-N-(2-méthyl-2-propanyl)phénylalaninamide [French] [ACD/IUPAC Name]
Phenylalaninamide, N-(3-methylbutyl)-3-(4-pyridinyl)alanyl-N-(1,1-dimethylethyl)-4-[(phenylmethyl)amino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 784.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.1±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 163.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 49.27
ACD/KOC (pH 5.5): 173.26
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2115.22
ACD/KOC (pH 7.4): 7437.72
Polar Surface Area: 95 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 492.8±3.0 cm3

Click to predict properties on the Chemicalize site


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