ChemSpider 2D Image | N-Methylalanyl-3-methyl-L-valyl-(4S)-4-phenoxy-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-L-prolinamide | C31H42N4O4

N-Methylalanyl-3-methyl-L-valyl-(4S)-4-phenoxy-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-L-prolinamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID23252261

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

L-Prolinamide, N-methylalanyl-3-methyl-L-valyl-4-phenoxy-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-, (4S)- [ACD/Index Name]
N-Méthylalanyl-3-méthyl-L-valyl-(4S)-4-phénoxy-N-(1,2,3,4-tétrahydro-1-naphtalényl)-L-prolinamide [French] [ACD/IUPAC Name]
N-Methylalanyl-3-methyl-L-valyl-(4S)-4-phenoxy-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-L-prolinamide [ACD/IUPAC Name]
N-Methylalanyl-3-methyl-L-valyl-(4S)-4-phenoxy-N-(1,2,3,4-tetrahydro-1-naphthalinyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-methylalanyl-3-methyl-L-valyl-(4S)-4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-L-prolinamide
(2S,4S)-1-[(S)-3,3-Dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid (1,2,3,4-tetrahydro-naphthalen-1-yl)-amide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 777.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.1±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 14.40
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 122.74
ACD/KOC (pH 7.4): 728.67
Polar Surface Area: 100 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 449.5±5.0 cm3

Click to predict properties on the Chemicalize site


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