ChemSpider 2D Image | N-p-coumaroyl-N'-caffeoylputrescine | C22H24N2O5

N-p-coumaroyl-N'-caffeoylputrescine

  • Molecular FormulaC22H24N2O5
  • Average mass396.436 Da
  • Monoisotopic mass396.168518 Da
  • ChemSpider ID28425446

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,4-Dihydroxyphenyl)-N-(4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]amino}butyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxyphenyl)-N-(4-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]amino}butyl)acrylamide [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxyphényl)-N-(4-{[(2E)-3-(4-hydroxyphényl)-2-propenoyl]amino}butyl)acrylamide [French] [ACD/IUPAC Name]
1138156-77-0 [RN]
2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-[4-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]butyl]-, (2E)- [ACD/Index Name]
N-p-coumaroyl-N'-caffeoylputrescine
(2S)-2-(tert-butoxycarbonylamino)-3-(o-tolyl)propanoic acid
[1138156-77-0] [RN]
3-(3,4-Dihydroxyphenyl)-N-(4-(3-(4-hydroxyphenyl)acrylamido)butyl)acrylamide
3-(3,4-DIHYDROXYPHENYL)-N-{4-[3-(4-HYDROXYPHENYL)PROP-2-ENAMIDO]BUTYL}PROP-2-ENAMIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 784.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 428.5±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.24
ACD/KOC (pH 5.5): 209.00
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.98
ACD/KOC (pH 7.4): 204.53
Polar Surface Area: 119 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 305.5±3.0 cm3

Click to predict properties on the Chemicalize site


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