ChemSpider 2D Image | N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(2-naphthyl)-L-alanyl-N-methyl-L-phenylalanyl-N,N,N~2~-trimethylglycinamide | C36H47N5O4

N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(2-naphthyl)-L-alanyl-N-methyl-L-phenylalanyl-N,N,N2-trimethylglycinamide

  • Molecular FormulaC36H47N5O4
  • Average mass613.789 Da
  • Monoisotopic mass613.362793 Da
  • ChemSpider ID23150663

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycinamide, N-[(2E)-5-amino-5-methyl-1-oxo-2-hexen-1-yl]-N-methyl-3-(2-naphthalenyl)-L-alanyl-N-methyl-L-phenylalanyl-N,N,N2-trimethyl- [ACD/Index Name]
N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(2-naphthyl)-L-alanyl-N-methyl-L-phenylalanyl-N,N,N2-trimethylglycinamid [German] [ACD/IUPAC Name]
N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(2-naphthyl)-L-alanyl-N-methyl-L-phenylalanyl-N,N,N2-trimethylglycinamide [ACD/IUPAC Name]
N-[(2E)-5-Amino-5-méthyl-2-hexenoyl]-N-méthyl-3-(2-naphtyl)-L-alanyl-N-méthyl-L-phénylalanyl-N,N,N2-triméthylglycinamide [French] [ACD/IUPAC Name]
(E)-5-Amino-5-methyl-hex-2-enoic acid ((S)-1-{[(S)-1-(dimethylcarbamoylmethyl-methyl-carbamoyl)-2-phenyl-ethyl]-methyl-carbamoyl}-2-naphthalen-2-yl-ethyl)-methyl-amide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 834.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 458.2±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 180.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 10.00
Polar Surface Area: 107 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 529.8±3.0 cm3

Click to predict properties on the Chemicalize site


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