ChemSpider 2D Image | N-{1-[(13Z)-10-sec-Butyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.0~3,7~]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxo-2-pentanyl}-Nalpha,Nalpha-dimethylphenylalaninamide | C37H51N5O6

N-{1-[(13Z)-10-sec-Butyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxo-2-pentanyl}-Nα,Nα-dimethylphenylalaninamide

  • Molecular FormulaC37H51N5O6
  • Average mass661.831 Da
  • Monoisotopic mass661.383911 Da
  • ChemSpider ID4523151

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzenepropanamide, α-(dimethylamino)-N-[3-methyl-1-[[(10Z)-3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-9,5-metheno-5H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin- 1(2H)-yl]carbonyl]butyl]- [ACD/Index Name]
N-{1-[(13Z)-10-sec-Butyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxo-2-pentanyl}-Nα,Nα-dimethylphenylalaninamid [German] [ACD/IUPAC Name]
N-{1-[(13Z)-10-sec-Butyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxo-2-pentanyl}-Nα,Nα-dimethylphenylalaninamide [ACD/IUPAC Name]
N-{1-[(13Z)-10-sec-Butyl-16-méthoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadéca-1(19),13,15,17-tétraén-6-yl]-4-méthyl-1-oxo-2-pentanyl}-Nα,Nα-diméthylphénylalaninamide [French] [ACD/IUPAC Name]
Benzenepropanamide, α-(dimethylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]-
Mucronine D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 916.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 508.3±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 183.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 13.14
ACD/KOC (pH 5.5): 76.57
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 353.86
ACD/KOC (pH 7.4): 2062.89
Polar Surface Area: 129 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 584.8±3.0 cm3

Click to predict properties on the Chemicalize site


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