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Search term: HMNBKWNEJGMBRQ-DEOSSOPVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-N~2~-[2-(4-Methoxyphenyl)ethyl]-N~1~-(1-naphthylmethyl)-1,2-pyrrolidinedicarboxamide | C26H29N3O3

(2S)-N2-[2-(4-Methoxyphenyl)ethyl]-N1-(1-naphthylmethyl)-1,2-pyrrolidinedicarboxamide

  • Molecular FormulaC26H29N3O3
  • Average mass431.527 Da
  • Monoisotopic mass431.220886 Da
  • ChemSpider ID59052926

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N2-[2-(4-Methoxyphenyl)ethyl]-N1-(1-naphthylmethyl)-1,2-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
(2S)-N2-[2-(4-Methoxyphenyl)ethyl]-N1-(1-naphthylmethyl)-1,2-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(2S)-N2-[2-(4-Méthoxyphényl)éthyl]-N1-(1-naphtylméthyl)-1,2-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxamide, N2-[2-(4-methoxyphenyl)ethyl]-N1-(1-naphthalenylmethyl)-, (2S)- [ACD/Index Name]
(2{s})-{n}2-[2-(4-Methoxyphenyl)ethyl]-~{n}1-(Naphthalen-1-Ylmethyl)pyrrolidine-1,2-Dicarboxamide
5VT

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.0±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 444.82
ACD/KOC (pH 5.5): 2736.38
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 444.82
ACD/KOC (pH 7.4): 2736.37
Polar Surface Area: 71 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 355.9±3.0 cm3

Click to predict properties on the Chemicalize site


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