ChemSpider 2D Image | N-[(10Z)-7-Benzyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N~2~,N~2~-dimethylisoleucinamide | C31H42N4O4

N-[(10Z)-7-Benzyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethylisoleucinamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID24624989

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(10Z)-7-Benzyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethylisoleucinamid [German] [ACD/IUPAC Name]
N-[(10Z)-7-Benzyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethylisoleucinamide [ACD/IUPAC Name]
N-[(10Z)-7-Benzyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),10,12,15-tétraén-4-yl]-N2,N2-diméthylisoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-(dimethylamino)-3-methyl-N-[(10Z)-3-(1-methylethyl)-5,8-dioxo-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 779.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.4±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 24.91
ACD/KOC (pH 5.5): 118.21
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 707.63
ACD/KOC (pH 7.4): 3357.63
Polar Surface Area: 100 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 461.8±5.0 cm3

Click to predict properties on the Chemicalize site


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