ChemSpider 2D Image | (2R)-2-[4-(4-Chlorophenoxy)butyl]-N~1~-{(2S)-3,3-dimethyl-1-oxo-1-[(2-phenylethyl)amino]-2-butanyl}-N~4~-hydroxysuccinamide | C28H38ClN3O5

(2R)-2-[4-(4-Chlorophenoxy)butyl]-N1-{(2S)-3,3-dimethyl-1-oxo-1-[(2-phenylethyl)amino]-2-butanyl}-N4-hydroxysuccinamide

  • Molecular FormulaC28H38ClN3O5
  • Average mass532.071 Da
  • Monoisotopic mass531.250000 Da
  • ChemSpider ID8431996

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[4-(4-Chlorophenoxy)butyl]-N1-{(2S)-3,3-dimethyl-1-oxo-1-[(2-phenylethyl)amino]-2-butanyl}-N4-hydroxysuccinamide [ACD/IUPAC Name]
(2R)-2-[4-(4-Chlorophénoxy)butyl]-N1-{(2S)-3,3-diméthyl-1-oxo-1-[(2-phényléthyl)amino]-2-butanyl}-N4-hydroxysuccinamide [French] [ACD/IUPAC Name]
(2R)-2-[4-(4-chlorophenoxy)butyl]-N1-{(2S)-3,3-dimethyl-1-oxo-1-[(2-phenylethyl)amino]butan-2-yl}-N4-hydroxybutanediamide
(2R)-2-[4-(4-Chlorphenoxy)butyl]-N1-{(2S)-3,3-dimethyl-1-oxo-1-[(2-phenylethyl)amino]-2-butanyl}-N4-hydroxysuccinamid [German] [ACD/IUPAC Name]
Butanediamide, 2-[4-(4-chlorophenoxy)butyl]-N1-[(1S)-2,2-dimethyl-1-[[(2-phenylethyl)amino]carbonyl]propyl]-N4-hydroxy-, (2R)- [ACD/Index Name]
(R)-2-[4-(4-Chloro-phenoxy)-butyl]-N*1*-((S)-2,2-dimethyl-1-phenethylcarbamoyl-propyl)-N*4*-hydroxy-succinamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL420786/

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: 1.554
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 343.86
ACD/KOC (pH 5.5): 2275.69
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.72
ACD/KOC (pH 7.4): 2235.08
Polar Surface Area: 117 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 449.8±3.0 cm3

Click to predict properties on the Chemicalize site


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