Found 1 result

Search term: OBGKRTYDTRUMGO-RFNYNIMXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | compound 2 [PMID: 24793972] | C30H37N3O

compound 2 [PMID: 24793972]

  • Molecular FormulaC30H37N3O
  • Average mass455.634 Da
  • Monoisotopic mass455.293671 Da
  • ChemSpider ID34980820

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-N-(4'-propyl-4-biphenylyl)-2-(2-pyridinyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
(1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-N-(4'-propyl-4-biphenylyl)-2-(2-pyridinyl)cyclopropanecarboxamide [ACD/IUPAC Name]
(1R,2R)-N-[(2S,3S)-2-Amino-3-méthylpentyl]-N-(4'-propyl-4-biphénylyl)-2-(2-pyridinyl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
compound 2 [PMID: 24793972]
Cyclopropanecarboxamide, N-[(2S,3S)-2-amino-3-methylpentyl]-N-(4'-propyl[1,1'-biphenyl]-4-yl)-2-(2-pyridinyl)-, (1R,2R)- [ACD/Index Name]
(1R,2R)-2-PCCA
(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide
1287205-42-8 [RN]
2-Pcca

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.8±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.77
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 17.00
ACD/KOC (pH 7.4): 66.72
Polar Surface Area: 59 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 409.3±3.0 cm3

Click to predict properties on the Chemicalize site


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