Found 18 results

Search term: MF = 'C_{40}H_{51}N_{3}O_{4}'
ChemSpider 2D Image | N-{2-[(2,6-Dimethylphenyl)amino]-1-(2-ethynylphenyl)-2-oxoethyl}-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octylphenylalaninamide | C40H51N3O4

N-{2-[(2,6-Dimethylphenyl)amino]-1-(2-ethynylphenyl)-2-oxoethyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octylphenylalaninamide

  • Molecular FormulaC40H51N3O4
  • Average mass637.851 Da
  • Monoisotopic mass637.387939 Da
  • ChemSpider ID16568088

More details:

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

Carbamic acid, N-[2-[[2-[(2,6-dimethylphenyl)amino]-1-(2-ethynylphenyl)-2-oxoethyl]octylamino]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{2-[(2,6-Dimethylphenyl)amino]-1-(2-ethinylphenyl)-2-oxoethyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octylphenylalaninamid [German] [ACD/IUPAC Name]
N-{2-[(2,6-Dimethylphenyl)amino]-1-(2-ethynylphenyl)-2-oxoethyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-N-octylphenylalaninamide [ACD/IUPAC Name]
N-{2-[(2,6-Diméthylphényl)amino]-1-(2-éthynylphényl)-2-oxoéthyl}-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}-N-octylphénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 783.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.5±35.7 °C
Index of Refraction: 1.547
Molar Refractivity: 192.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 11.86
ACD/LogD (pH 5.5): 9.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3597898.25
ACD/LogD (pH 7.4): 9.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2103041.50
Polar Surface Area: 95 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 607.4±7.0 cm3

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