ChemSpider 2D Image | N-[3-(4-Hydroxyphenyl)propanoyl]-L-isoleucyl-N-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-L-prolinamide | C29H46N4O6

N-[3-(4-Hydroxyphenyl)propanoyl]-L-isoleucyl-N-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-L-prolinamide

  • Molecular FormulaC29H46N4O6
  • Average mass546.699 Da
  • Monoisotopic mass546.341736 Da
  • ChemSpider ID9181302

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[3-(4-hydroxyphenyl)-1-oxopropyl]-L-isoleucyl-N-[4-[[(1,1-dimethylethoxy)carbonyl]amino]butyl]- [ACD/Index Name]
N-[3-(4-Hydroxyphenyl)propanoyl]-L-isoleucyl-N-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[3-(4-Hydroxyphenyl)propanoyl]-L-isoleucyl-N-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-L-prolinamide [ACD/IUPAC Name]
N-[3-(4-Hydroxyphényl)propanoyl]-L-isoleucyl-N-[4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butyl]-L-prolinamide [French] [ACD/IUPAC 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: 823.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 451.9±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 148.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.13
ACD/KOC (pH 5.5): 1392.61
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 172.67
ACD/KOC (pH 7.4): 1388.88
Polar Surface Area: 137 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 476.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement