ChemSpider 2D Image | N-(4-Methylphenyl)-Nalpha-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamide | C31H39N5O5

N-(4-Methylphenyl)-Nα-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamide

  • Molecular FormulaC31H39N5O5
  • Average mass561.672 Da
  • Monoisotopic mass561.295105 Da
  • ChemSpider ID17466174
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Carbamic acid, N-[2-[4-[[[(1S)-1-(1H-indol-3-ylmethyl)-2-[(4-methylphenyl)amino]-2-oxoethyl]amino]carbonyl]-1-piperidinyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(4-Methylphenyl)-Nα-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
N-(4-Methylphenyl)-Nα-{[1-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)-4-piperidinyl]carbonyl}-L-tryptophanamide [ACD/IUPAC Name]
N-(4-Méthylphényl)-Nα-{[1-(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}glycyl)-4-pipéridinyl]carbonyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
956945-98-5 [RN]
TERT-BUTYL N-[2-(4-{[(1S)-2-(1H-INDOL-3-YL)-1-[(4-METHYLPHENYL)CARBAMOYL]ETHYL]CARBAMOYL}PIPERIDIN-1-YL)-2-OXOETHYL]CARBAMATE
tert-butyl N-[2-[4-[[(2S)-3-(1H-indol-3-yl)-1-(4-methylanilino)-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-oxoethyl]carbamate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 885.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 489.3±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 157.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 291.40
ACD/KOC (pH 5.5): 2020.27
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 291.40
ACD/KOC (pH 7.4): 2020.25
Polar Surface Area: 133 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 447.5±3.0 cm3

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