ChemSpider 2D Image | (2E)-N-[2-(Cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylphenyl)-2-butenediamide | C30H34N4O4

(2E)-N-[2-(Cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylphenyl)-2-butenediamide

  • Molecular FormulaC30H34N4O4
  • Average mass514.615 Da
  • Monoisotopic mass514.257996 Da
  • ChemSpider ID4696139

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-[2-(Cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylphenyl)-2-butendiamid [German] [ACD/IUPAC Name]
(2E)-N-[2-(Cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylphenyl)-2-butenediamide [ACD/IUPAC Name]
(2E)-N-[2-(Cyclopentylamino)-1-(4-éthylphényl)-2-oxoéthyl]-N'-(5-méthyl-1,2-oxazol-3-yl)-N-(2-méthylphényl)-2-butènediamide [French] [ACD/IUPAC Name]
2-Butenediamide, N1-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N4-(5-methyl-3-isoxazolyl)-N1-(2-methylphenyl)-, (2E)- [ACD/Index Name]
But-2-enedioic acid [cyclopentylcarbamoyl-(4-ethyl-phenyl)-methyl]-o-tolyl-amide (5-methyl-isoxazol-3-yl)-amide

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

ASN 05572336 [DBID]
MLS000555311 [DBID]
SMR000173167 [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: 756.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.3±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 269.22
ACD/KOC (pH 5.5): 1910.19
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.88
ACD/KOC (pH 7.4): 1907.78
Polar Surface Area: 105 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 414.5±5.0 cm3

Click to predict properties on the Chemicalize site


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