ChemSpider 2D Image | (2S,3R)-N~4~-[3,3-Dimethyl-1-(methylamino)-1-oxo-2-butanyl]-N~1~,2-dihydroxy-3-isobutylsuccinamide | C15H29N3O5

(2S,3R)-N4-[3,3-Dimethyl-1-(methylamino)-1-oxo-2-butanyl]-N1,2-dihydroxy-3-isobutylsuccinamide

  • Molecular FormulaC15H29N3O5
  • Average mass331.408 Da
  • Monoisotopic mass331.210724 Da
  • ChemSpider ID23198915

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,3R)-N4-[3,3-Dimethyl-1-(methylamino)-1-oxo-2-butanyl]-N1,2-dihydroxy-3-isobutylsuccinamid [German] [ACD/IUPAC Name]
(2S,3R)-N4-[3,3-Dimethyl-1-(methylamino)-1-oxo-2-butanyl]-N1,2-dihydroxy-3-isobutylsuccinamide [ACD/IUPAC Name]
(2S,3R)-N4-[3,3-Diméthyl-1-(méthylamino)-1-oxo-2-butanyl]-N1,2-dihydroxy-3-isobutylsuccinamide [French] [ACD/IUPAC Name]
(2S,3R)-N4-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N1,2-dihydroxy-3-(2-methylpropyl)butanediamide
Butanediamide, N4-[2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-N1,2-dihydroxy-3-(2-methylpropyl)-, (2S,3R)- [ACD/Index Name]
(2R,3S)-N1-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4,3-dihydroxy-2-isobutylsuccinamide
154039-60-8 [RN]
CHEMBL115189
Marimastat [INN] [USAN] [Wiki]
N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1*-dihydroxy-3-isobutyl-succinamide(Marimisant)

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.499
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.22
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.09
Polar Surface Area: 128 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 290.5±3.0 cm3

Click to predict properties on the Chemicalize site


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