ChemSpider 2D Image | (2E)-N-(4-Acetamidobutyl)-2-[4,5-dihydroxy-2-(3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)acrylamide | C33H39N3O8

(2E)-N-(4-Acetamidobutyl)-2-[4,5-dihydroxy-2-(3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)acrylamide

  • Molecular FormulaC33H39N3O8
  • Average mass605.678 Da
  • Monoisotopic mass605.273743 Da
  • ChemSpider ID29416402

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-(4-Acetamidobutyl)-2-[4,5-dihydroxy-2-(3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-N-(4-Acetamidobutyl)-2-[4,5-dihydroxy-2-(3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxopropyl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)acrylamide [ACD/IUPAC Name]
(2E)-N-(4-Acétamidobutyl)-2-[4,5-dihydroxy-2-(3-{[2-(4-hydroxyphényl)éthyl]amino}-3-oxopropyl)phényl]-3-(4-hydroxy-3-méthoxyphényl)acrylamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 2-[(E)-1-[[[4-(acetylamino)butyl]amino]carbonyl]-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4,5-dihydroxy-N-[2-(4-hydroxyphenyl)ethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 995.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.1±3.0 kJ/mol
Flash Point: 555.6±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 167.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.72
ACD/KOC (pH 5.5): 493.82
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.74
ACD/KOC (pH 7.4): 481.93
Polar Surface Area: 177 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 470.1±3.0 cm3

Click to predict properties on the Chemicalize site


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