ChemSpider 2D Image | (2E)-5-Amino-N-[(2S)-1-{(3R)-3-benzyl-3-[(2,2-dimethylhydrazino)carbonyl]-1-piperidinyl}-3-(benzyloxy)-1-oxo-2-propanyl]-5-methyl-2-hexenamide | C32H45N5O4

(2E)-5-Amino-N-[(2S)-1-{(3R)-3-benzyl-3-[(2,2-dimethylhydrazino)carbonyl]-1-piperidinyl}-3-(benzyloxy)-1-oxo-2-propanyl]-5-methyl-2-hexenamide

  • Molecular FormulaC32H45N5O4
  • Average mass563.731 Da
  • Monoisotopic mass563.347168 Da
  • ChemSpider ID8135186

  • 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-[(2S)-1-{(3R)-3-benzyl-3-[(2,2-dimethylhydrazino)carbonyl]-1-piperidinyl}-3-(benzyloxy)-1-oxo-2-propanyl]-5-methyl-2-hexenamid [German] [ACD/IUPAC Name]
(2E)-5-Amino-N-[(2S)-1-{(3R)-3-benzyl-3-[(2,2-dimethylhydrazino)carbonyl]-1-piperidinyl}-3-(benzyloxy)-1-oxo-2-propanyl]-5-methyl-2-hexenamide [ACD/IUPAC Name]
(2E)-5-Amino-N-[(2S)-1-{(3R)-3-benzyl-3-[(2,2-diméthylhydrazino)carbonyl]-1-pipéridinyl}-3-(benzyloxy)-1-oxo-2-propanyl]-5-méthyl-2-hexénamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[(2S)-2-[[(2E)-5-amino-5-methyl-1-oxo-2-hexen-1-yl]amino]-1-oxo-3-(phenylmethoxy)propyl]-3-(phenylmethyl)-, 2,2-dimethylhydrazide, (3R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 161.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.72
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): 1.03
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 11.70
Polar Surface Area: 117 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 488.6±3.0 cm3

Click to predict properties on the Chemicalize site


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