ChemSpider 2D Image | N-(4-Carbamimidoylbenzyl)-1-[(cyclohexyloxy)acetyl]-L-prolinamide | C21H30N4O3

N-(4-Carbamimidoylbenzyl)-1-[(cyclohexyloxy)acetyl]-L-prolinamide

  • Molecular FormulaC21H30N4O3
  • Average mass386.488 Da
  • Monoisotopic mass386.231781 Da
  • ChemSpider ID25060896
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide
2-Pyrrolidinecarboxamide, N-[[4-[(Z)-aminoiminomethyl]phenyl]methyl]-1-[2-(cyclohexyloxy)acetyl]-, (2S)- [ACD/Index Name]
N-(4-Carbamimidoylbenzyl)-1-[(cyclohexyloxy)acetyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-(4-Carbamimidoylbenzyl)-1-[(cyclohexyloxy)acetyl]-L-prolinamide [ACD/IUPAC Name]
N-(4-Carbamimidoylbenzyl)-1-[2-(cyclohexyloxy)acétyl]-L-prolinamide [French] [ACD/IUPAC Name]
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexyloxy)acetyl]pyrrolidine-2-carboxamide
46U

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.03
Polar Surface Area: 109 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 295.1±7.0 cm3

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