ChemSpider 2D Image | N-{(1s,2r)-1-Benzyl-2-Hydroxy-3-[(1,1,5-Trimethylhexyl)amino]propyl}-3-(Ethylamino)-5-(2-Oxopyrrolidin-1-Yl)benzamide | C32H48N4O3

N-{(1s,2r)-1-Benzyl-2-Hydroxy-3-[(1,1,5-Trimethylhexyl)amino]propyl}-3-(Ethylamino)-5-(2-Oxopyrrolidin-1-Yl)benzamide

  • Molecular FormulaC32H48N4O3
  • Average mass536.748 Da
  • Monoisotopic mass536.372620 Da
  • ChemSpider ID24682472
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Benzamide, 3-(ethylamino)-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[(1,1,5-trimethylhexyl)amino]propyl]-5-(2-oxo-1-pyrrolidinyl)- [ACD/Index Name]
N-{(1s,2r)-1-Benzyl-2-Hydroxy-3-[(1,1,5-Trimethylhexyl)amino]propyl}-3-(Ethylamino)-5-(2-Oxopyrrolidin-1-Yl)benzamide
N-{(2S,3R)-4-[(2,6-Dimethyl-2-heptanyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamid [German] [ACD/IUPAC Name]
N-{(2S,3R)-4-[(2,6-Dimethyl-2-heptanyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide [ACD/IUPAC Name]
N-{(2S,3R)-4-[(2,6-Diméthyl-2-heptanyl)amino]-3-hydroxy-1-phényl-2-butanyl}-3-(éthylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide [French] [ACD/IUPAC Name]
CHEMBL252458
VG0

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 785.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 428.8±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 3.50
ACD/KOC (pH 5.5): 11.32
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 26.53
ACD/KOC (pH 7.4): 85.89
Polar Surface Area: 94 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 483.1±3.0 cm3

Click to predict properties on the Chemicalize site






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