ChemSpider 2D Image | Ethyl 4-[{2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}(2-furoyl)amino]benzoate | C29H33N3O5

Ethyl 4-[{2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}(2-furoyl)amino]benzoate

  • Molecular FormulaC29H33N3O5
  • Average mass503.589 Da
  • Monoisotopic mass503.242035 Da
  • ChemSpider ID2447593

More details:

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

4-[{2-(Cyclopentylamino)-1-[4-(diméthylamino)phényl]-2-oxoéthyl}(2-furoyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl](2-furanylcarbonyl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[{2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}(2-furoyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[{2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}(2-furoyl)amino]benzoat [German] [ACD/IUPAC Name]
ETHYL 4-{N-[(CYCLOPENTYLCARBAMOYL)[4-(DIMETHYLAMINO)PHENYL]METHYL]FURAN-2-AMIDO}BENZOATE

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

ASN 05256144 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 716.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.8±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1232.27
ACD/KOC (pH 5.5): 5544.72
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1335.34
ACD/KOC (pH 7.4): 6008.50
Polar Surface Area: 92 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 401.4±5.0 cm3

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