Found 1565 results

Search term: MF = 'C_{31}H_{42}N_{4}O_{3}'
ChemSpider 2D Image | (4S)-1-[4-(Diethylamino)benzyl]-N-(2-methoxyethyl)-4-{[(4-methoxy-1-naphthyl)methyl]amino}-L-prolinamide | C31H42N4O3

(4S)-1-[4-(Diethylamino)benzyl]-N-(2-methoxyethyl)-4-{[(4-methoxy-1-naphthyl)methyl]amino}-L-prolinamide

  • Molecular FormulaC31H42N4O3
  • Average mass518.690 Da
  • Monoisotopic mass518.325684 Da
  • ChemSpider ID23039335

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-[4-(Diethylamino)benzyl]-N-(2-methoxyethyl)-4-{[(4-methoxy-1-naphthyl)methyl]amino}-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-1-[4-(Diethylamino)benzyl]-N-(2-methoxyethyl)-4-{[(4-methoxy-1-naphthyl)methyl]amino}-L-prolinamide [ACD/IUPAC Name]
(4S)-1-[4-(Diéthylamino)benzyl]-N-(2-méthoxyéthyl)-4-{[(4-méthoxy-1-naphtyl)méthyl]amino}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[[4-(diethylamino)phenyl]methyl]-N-(2-methoxyethyl)-4-[[(4-methoxy-1-naphthalenyl)methyl]amino]-, (2S,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.9±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 203.97
ACD/KOC (pH 7.4): 851.89
Polar Surface Area: 66 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 445.1±5.0 cm3

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