ChemSpider 2D Image | N-[(10Z)-7-Isobutyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nalpha,Nalpha-dimethylphenylalaninamide | C34H40N4O4

N-[(10Z)-7-Isobutyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nα,Nα-dimethylphenylalaninamide

  • Molecular FormulaC34H40N4O4
  • Average mass568.706 Da
  • Monoisotopic mass568.304932 Da
  • ChemSpider ID4523141
  • Double-bond stereo - Double-bond stereo


More details:






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

Benzenepropanamide, α-(dimethylamino)-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]- [ACD/Index Name]
N-[(10Z)-7-Isobutyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nα,Nα-dimethylphenylalaninamid [German] [ACD/IUPAC Name]
N-[(10Z)-7-Isobutyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nα,Nα-dimethylphenylalaninamide [ACD/IUPAC Name]
N-[(10Z)-7-Isobutyl-5,8-dioxo-3-phényl-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),10,12,15-tétraén-4-yl]-Nα,Nα-diméthylphénylalaninamide [French] [ACD/IUPAC Name]
(Z)-N-[(5E,8E,10Z)-5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropimidic acid
a-(Dimethylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]benzenepropanamide, 9CI
Benzenepropanamide, α-(dimethylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3R*,4S*(S*),7S*]]-
Ceanothine E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 847.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 164.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 47.95
ACD/KOC (pH 5.5): 197.92
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1226.45
ACD/KOC (pH 7.4): 5062.14
Polar Surface Area: 100 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 471.2±5.0 cm3

Click to predict properties on the Chemicalize site






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