ChemSpider 2D Image | Nalpha-(tert-Butoxycarbonyl)-N-hexyl-N-[1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-(pentylamino)ethyl]tryptophanamide | C36H52N4O6

Nα-(tert-Butoxycarbonyl)-N-hexyl-N-[1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-(pentylamino)ethyl]tryptophanamide

  • Molecular FormulaC36H52N4O6
  • Average mass636.821 Da
  • Monoisotopic mass636.388672 Da
  • ChemSpider ID21106064

More details:

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

Carbamic acid, N-[2-[hexyl[1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-(pentylamino)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-Hexyl-N-[1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-(pentylamino)ethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptophanamid [German] [ACD/IUPAC Name]
N-Hexyl-N-[1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-(pentylamino)ethyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptophanamide [ACD/IUPAC Name]
N-Hexyl-N-[1-(2-hydroxy-3-méthoxyphényl)-2-oxo-2-(pentylamino)éthyl]-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}tryptophaneamide [French] [ACD/IUPAC Name]
Nα-(tert-Butoxycarbonyl)-N-hexyl-N-[1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-(pentylamino)ethyl]tryptophanamide
tert-butyl [1-{hexyl[1-(2-hydroxy-3-methoxyphenyl)-2-oxo-2-(pentylamino)ethyl]amino}-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 842.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 463.0±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 181.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 148440.58
ACD/KOC (pH 5.5): 175123.27
ACD/LogD (pH 7.4): 7.10
ACD/BCF (pH 7.4): 145614.36
ACD/KOC (pH 7.4): 171789.00
Polar Surface Area: 133 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 555.2±3.0 cm3

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