ChemSpider 2D Image | (2R,4S)-N-Butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide | C24H45N3O4

(2R,4S)-N-Butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide

  • Molecular FormulaC24H45N3O4
  • Average mass439.632 Da
  • Monoisotopic mass439.341003 Da
  • ChemSpider ID23335439

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,4S)-N-Butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamid [German] [ACD/IUPAC Name]
(2R,4S)-N-Butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide [ACD/IUPAC Name]
(2R,4S)-N-Butyl-4-[(2S,5S,7R)-2,7-diméthyl-3,15-dioxo-1,4-diazacyclopentadécan-5-yl]-4-hydroxy-2-méthylbutanamide [French] [ACD/IUPAC Name]
1,4-Diazacyclopentadecane-5-butanamide, N-butyl-γ-hydroxy-α,2,7-trimethyl-3,15-dioxo-, (αR,γS,2S,5S,7R)- [ACD/Index Name]
(2R,4S)-N-butyl-4-((2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl)-4-hydroxy-2-methylbutanamide
AR9
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL490304/
macrocyclic peptidomimetic, 3b

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

Density: 1.0±0.1 g/cm3
Boiling Point: 719.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 388.9±28.7 °C
Index of Refraction: 1.464
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.73
ACD/KOC (pH 5.5): 703.83
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.73
ACD/KOC (pH 7.4): 703.83
Polar Surface Area: 108 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 446.1±3.0 cm3

Click to predict properties on the Chemicalize site


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