ChemSpider 2D Image | 2-Methyl-2-propanyl [N'-(4-{[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]amino}butyl)-N-(3-methyl-2-buten-1-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl]carbamate | C31H48N4O7

2-Methyl-2-propanyl [N'-(4-{[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]amino}butyl)-N-(3-methyl-2-buten-1-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl]carbamate

  • Molecular FormulaC31H48N4O7
  • Average mass588.735 Da
  • Monoisotopic mass588.352295 Da
  • ChemSpider ID8161418

  • Double-bond stereo - Double-bond stereo

More details:

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

[N'-(4-{[(2E)-3-(3,4-Diméthoxyphényl)-2-propenoyl]amino}butyl)-N-(3-méthyl-2-butén-1-yl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}carbamimidoyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [N'-(4-{[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]amino}butyl)-N-(3-methyl-2-buten-1-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[N'-(4-{[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]amino}butyl)-N-(3-methyl-2-buten-1-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl]carbamat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.509
Molar Refractivity: 163.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6485.63
ACD/KOC (pH 5.5): 18626.94
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6304.06
ACD/KOC (pH 7.4): 18105.46
Polar Surface Area: 128 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 35.8±7.0 dyne/cm
Molar Volume: 547.0±7.0 cm3

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