ChemSpider 2D Image | N'-{(2S,3R)-3-Hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-N,N-dipropylisophthalamide | C32H41N3O4

N'-{(2S,3R)-3-Hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-N,N-dipropylisophthalamide

  • Molecular FormulaC32H41N3O4
  • Average mass531.686 Da
  • Monoisotopic mass531.309692 Da
  • ChemSpider ID395728

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N3-[(1S,2R)-2-hydroxy-3-[[(3-methoxyphenyl)methyl]amino]-1-(phenylmethyl)propyl]-N1,N1-dipropyl- [ACD/Index Name]
3-[({(1s,2r)-1-Benzyl-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}amino)(Hydroxy)methyl]-N,N-Dipropylbenzamide
N'-{(2S,3R)-3-Hydroxy-4-[(3-méthoxybenzyl)amino]-1-phényl-2-butanyl}-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-{(2S,3R)-3-Hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-{(2S,3R)-3-Hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-N,N-dipropylisophthalamide [ACD/IUPAC Name]
CHEMBL443239
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL443239/
L01

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

Density: 1.1±0.1 g/cm3
Boiling Point: 759.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 413.4±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 156.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 10.65
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 98.23
ACD/KOC (pH 7.4): 449.12
Polar Surface Area: 91 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 469.6±3.0 cm3

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