Found 574 results

Search term: MF = 'C_{28}H_{44}N_{4}O_{4}'
ChemSpider 2D Image | N-{3-[(5S)-4,7-Dimethyl-3,6-dioxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,4,7-benzoxadiazacyclotridecin-5-yl]propyl}-N-methyl-2-(4-methyl-1-piperidinyl)acetamide | C28H44N4O4

N-{3-[(5S)-4,7-Dimethyl-3,6-dioxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,4,7-benzoxadiazacyclotridecin-5-yl]propyl}-N-methyl-2-(4-methyl-1-piperidinyl)acetamide

  • Molecular FormulaC28H44N4O4
  • Average mass500.673 Da
  • Monoisotopic mass500.336243 Da
  • ChemSpider ID80818307

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidineacetamide, N-[3-[(5S)-2,3,4,5,6,7,8,9,10,11-decahydro-4,7-dimethyl-3,6-dioxo-1,4,7-benzoxadiazacyclotridecin-5-yl]propyl]-N,4-dimethyl- [ACD/Index Name]
N-{3-[(5S)-4,7-Dimethyl-3,6-dioxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,4,7-benzoxadiazacyclotridecin-5-yl]propyl}-N-methyl-2-(4-methyl-1-piperidinyl)acetamid [German] [ACD/IUPAC Name]
N-{3-[(5S)-4,7-Dimethyl-3,6-dioxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,4,7-benzoxadiazacyclotridecin-5-yl]propyl}-N-methyl-2-(4-methyl-1-piperidinyl)acetamide [ACD/IUPAC Name]
N-{3-[(5S)-4,7-Diméthyl-3,6-dioxo-2,3,4,5,6,7,8,9,10,11-décahydro-1,4,7-benzoxadiazacyclotridécin-5-yl]propyl}-N-méthyl-2-(4-méthyl-1-pipéridinyl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 687.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.6±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.98
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 18.96
ACD/KOC (pH 7.4): 219.82
Polar Surface Area: 73 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 468.1±3.0 cm3

Click to predict properties on the Chemicalize site


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