Found 51 results

Search term: MF = 'C_{35}H_{49}N_{5}O_{5}'
ChemSpider 2D Image | N-{(1R,5S,21S,24R)-7-[4-(Dimethylamino)benzyl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-trien-24-yl}-3,3-dimethylbutanamide | C35H49N5O5

N-{(1R,5S,21S,24R)-7-[4-(Dimethylamino)benzyl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl}-3,3-dimethylbutanamide

  • Molecular FormulaC35H49N5O5
  • Average mass619.794 Da
  • Monoisotopic mass619.373352 Da
  • ChemSpider ID65060849

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Butanamide, N-[(14S,17R,18R,21aS)-2-[[4-(dimethylamino)phenyl]methyl]-1,3,4,12,13,14,15,16,17,18,19,20,21,21a-tetradecahydro-6,21-dioxo-14,18-epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexad ecin-17-yl]-3,3-dimethyl- [ACD/Index Name]
N-{(1R,5S,21S,24R)-7-[4-(Dimethylamino)benzyl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl}-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
N-{(1R,5S,21S,24R)-7-[4-(Dimethylamino)benzyl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl}-3,3-dimethylbutanamide [ACD/IUPAC Name]
N-{(1R,5S,21S,24R)-7-[4-(Diméthylamino)benzyl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trién-24-yl}-3,3-diméthylbutanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 847.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 466.3±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 174.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 3.88
ACD/KOC (pH 5.5): 37.20
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 73.11
ACD/KOC (pH 7.4): 700.14
Polar Surface Area: 103 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 504.8±5.0 cm3

Click to predict properties on the Chemicalize site


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