ChemSpider 2D Image | N-(3,4,5-Trimethoxybenzoyl)-beta-alanyl-N-(4-ethoxyphenyl)phenylalaninamide | C30H35N3O7

N-(3,4,5-Trimethoxybenzoyl)-β-alanyl-N-(4-ethoxyphenyl)phenylalaninamide

  • Molecular FormulaC30H35N3O7
  • Average mass549.615 Da
  • Monoisotopic mass549.247498 Da
  • ChemSpider ID25957602

More details:

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

1260684-81-8 [RN]
N-(3,4,5-Trimethoxybenzoyl)-β-alanyl-N-(4-ethoxyphenyl)phenylalaninamid [German] [ACD/IUPAC Name]
N-(3,4,5-Trimethoxybenzoyl)-β-alanyl-N-(4-ethoxyphenyl)phenylalaninamide [ACD/IUPAC Name]
N-(3,4,5-Triméthoxybenzoyl)-β-alanyl-N-(4-éthoxyphényl)phénylalaninamide [French] [ACD/IUPAC Name]
Phenylalaninamide, N-(3,4,5-trimethoxybenzoyl)-β-alanyl-N-(4-ethoxyphenyl)- [ACD/Index Name]
N-(4-ethoxyphenyl)-3-phenyl-2-{3-[(3,4,5-trimethoxyphenyl)formamido]propanamido}propanamide
N-[(3,4,5-trimethoxyphenyl)carbonyl]-β-alanyl-N-(4-ethoxyphenyl)phenylalaninamide
N-[3-[[1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-3,4,5-trimethoxybenzamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 781.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.7±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 151.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 121.16
ACD/KOC (pH 5.5): 1078.64
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 121.17
ACD/KOC (pH 7.4): 1078.68
Polar Surface Area: 124 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 452.8±3.0 cm3

Click to predict properties on the Chemicalize site


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