ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(4-methylbenzyl)acetamide | C30H33N5O3

2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(4-methylbenzyl)acetamide

  • Molecular FormulaC30H33N5O3
  • Average mass511.615 Da
  • Monoisotopic mass511.258331 Da
  • ChemSpider ID2449346

More details:






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

1H-1,2,3-Benzotriazole-1-acetamide, N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]- [ACD/Index Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(4-methylbenzyl)acetamid [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(4-methylbenzyl)acetamide [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3-méthoxyphényl)-2-oxoéthyl]-N-(4-méthylbenzyl)acétamide [French] [ACD/IUPAC Name]

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

ASN 05295184 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.6±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 946.18
ACD/KOC (pH 5.5): 4696.75
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 946.23
ACD/KOC (pH 7.4): 4696.99
Polar Surface Area: 89 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 407.3±7.0 cm3

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