ChemSpider 2D Image | N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(1-naphthyl)-D-alanyl-N,Nalpha-dimethyl-D-phenylalaninamide | C32H40N4O3

N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(1-naphthyl)-D-alanyl-N,Nα-dimethyl-D-phenylalaninamide

  • Molecular FormulaC32H40N4O3
  • Average mass528.685 Da
  • Monoisotopic mass528.310059 Da
  • ChemSpider ID8920069

  • 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

(2E)-5-amino-N,5-dimethyl-N-[(2R)-1-{methyl[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino}-3-(naphthalen-1-yl)-1-oxopropan-2-yl]hex-2-enamide (non-preferred name)
D-Phenylalaninamide, N-[(2E)-5-amino-5-methyl-1-oxo-2-hexen-1-yl]-N-methyl-3-(1-naphthalenyl)-D-alanyl-N,Nα-dimethyl- [ACD/Index Name]
N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(1-naphthyl)-D-alanyl-N,Nα-dimethyl-D-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2E)-5-Amino-5-methyl-2-hexenoyl]-N-methyl-3-(1-naphthyl)-D-alanyl-N,Nα-dimethyl-D-phenylalaninamide [ACD/IUPAC Name]
N-[(2E)-5-Amino-5-méthyl-2-hexenoyl]-N-méthyl-3-(1-naphtyl)-D-alanyl-N,Nα-diméthyl-D-phénylalaninamide [French] [ACD/IUPAC Name]
(E)-5-Amino-5-methyl-hex-2-enoic acid methyl-{(R)-1-[methyl-((R)-1-methylcarbamoyl-2-phenyl-ethyl)-carbamoyl]-2-naphthalen-1-yl-ethyl}-amide
CHEMBL122420

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

Density: 1.1±0.1 g/cm3
Boiling Point: 794.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.2±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 3.20
ACD/KOC (pH 7.4): 21.96
Polar Surface Area: 96 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 460.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement