ChemSpider 2D Image | N-{1-(2,3-Dimethoxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}-N-(4-methylbenzyl)-N'-(5-methyl-1,2-oxazol-3-yl)succinamide | C31H40N4O6

N-{1-(2,3-Dimethoxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}-N-(4-methylbenzyl)-N'-(5-methyl-1,2-oxazol-3-yl)succinamide

  • Molecular FormulaC31H40N4O6
  • Average mass564.672 Da
  • Monoisotopic mass564.294800 Da
  • ChemSpider ID2467269

More details:

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

Butanediamide, N1-[1-(2,3-dimethoxyphenyl)-2-[(1,1-dimethylpropyl)amino]-2-oxoethyl]-N4-(5-methyl-3-isoxazolyl)-N1-[(4-methylphenyl)methyl]- [ACD/Index Name]
N-{1-(2,3-Dimethoxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}-N-(4-methylbenzyl)-N'-(5-methyl-1,2-oxazol-3-yl)succinamid [German] [ACD/IUPAC Name]
N-{1-(2,3-Dimethoxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}-N-(4-methylbenzyl)-N'-(5-methyl-1,2-oxazol-3-yl)succinamide [ACD/IUPAC Name]
N-{1-(2,3-Diméthoxyphényl)-2-[(2-méthyl-2-butanyl)amino]-2-oxoéthyl}-N-(4-méthylbenzyl)-N'-(5-méthyl-1,2-oxazol-3-yl)succinamide [French] [ACD/IUPAC Name]

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

ASN 05991314 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 812.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 445.0±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 156.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 260.47
ACD/KOC (pH 5.5): 1865.55
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.47
ACD/KOC (pH 7.4): 1865.54
Polar Surface Area: 123 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 476.7±3.0 cm3

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