ChemSpider 2D Image | 2-Methyl-2-propanyl (3-{4-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}-3-oxopropyl)carbamate | C25H39N3O6

2-Methyl-2-propanyl (3-{4-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}-3-oxopropyl)carbamate

  • Molecular FormulaC25H39N3O6
  • Average mass477.594 Da
  • Monoisotopic mass477.283875 Da
  • ChemSpider ID34638001

More details:

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

(3-{4-[3-(4-Éthoxy-3-méthoxyphényl)propanoyl]-1,4-diazépan-1-yl}-3-oxopropyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3-{4-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}-3-oxopropyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3-{4-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}-3-oxopropyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-[4-[3-(4-ethoxy-3-methoxyphenyl)-1-oxopropyl]hexahydro-1H-1,4-diazepin-1-yl]-3-oxopropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 672.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.38
ACD/KOC (pH 5.5): 731.13
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.38
ACD/KOC (pH 7.4): 731.12
Polar Surface Area: 97 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 421.9±3.0 cm3

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