ChemSpider 2D Image | Nalpha-(2-Bromobenzoyl)-N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]phenylalaninamide | C29H34BrN3O5

Nα-(2-Bromobenzoyl)-N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]phenylalaninamide

  • Molecular FormulaC29H34BrN3O5
  • Average mass584.501 Da
  • Monoisotopic mass583.168152 Da
  • ChemSpider ID120991091

More details:

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

Benzenepropanamide, α-[(2-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]- [ACD/Index Name]
Nα-(2-Brombenzoyl)-N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]phenylalaninamid [German] [ACD/IUPAC Name]
Nα-(2-Bromobenzoyl)-N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]phenylalaninamide [ACD/IUPAC Name]
Nα-(2-Bromobenzoyl)-N-[2-(diméthylamino)-2-(3,4,5-triméthoxyphényl)éthyl]phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 742.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.7±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 151.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 16.58
ACD/KOC (pH 5.5): 95.41
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 394.60
ACD/KOC (pH 7.4): 2270.75
Polar Surface Area: 89 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 452.7±3.0 cm3

Click to predict properties on the Chemicalize site


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