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Inherent Properties, Identifiers and References
ChemSpider ID: 21106059
Empirical Formula: C24H33N3O5
Molecular Weight: 443.5359
Nominal Mass: 443 Da
Average Mass: 443.5359 Da
Monoisotopic Mass: 443.242021 Da
Systematic Name: tert-butyl N-[2-[[2-(tert-butylamino)-2-oxo-1-phenyl-ethyl]-(2-fu​rylmethyl)amino]-2-oxo-ethyl]carbamate
SMILES: O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C
InChI: InChI=1/C24H33N3O5/c1-23(2,3)26-21(29)20(17-11-8-7-9-12-17)27(16-​18-13-10-14-31-18)19(28)15-25-22(30)32-24(4,5)6/h7-14,20H,15-16H2​,1-6H3,(H,25,30)(H,26,29)
InChIKey: BXAOUWIVXLQYOZ-UHFFFAOYAZ
Std. InChI: InChI=1S/C24H33N3O5/c1-23(2,3)26-21(29)20(17-11-8-7-9-12-17)27(16​-18-13-10-14-31-18)19(28)15-25-22(30)32-24(4,5)6/h7-14,20H,15-16H​2,1-6H3,(H,25,30)(H,26,29)
Std. InChIKey: BXAOUWIVXLQYOZ-UHFFFAOYSA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

{2-[(2-Fu​rylméthyl​){2-[(2-m​éthyl-2-p​ropanyl)a​mino]-2-o​xo-1-phén​yléthyl}a​mino]-2-o​xoéthyl}c​arbamate ​de 2-méth​yl-2-prop​anyle

2-Methyl-​2-propany​l {2-[(2-​furylmeth​yl){2-[(2​-methyl-2​-propanyl​)amino]-2​-oxo-1-ph​enylethyl​}amino]-2​-oxoethyl​}carbamate

2-Methyl-​2-propany​l-{2-[(2-​furylmeth​yl){2-[(2​-methyl-2​-propanyl​)amino]-2​-oxo-1-ph​enylethyl​}amino]-2​-oxoethyl​}carbamat

carbamic ​acid, N-[​2-[[2-[(1​,1-dimeth​ylethyl)a​mino]-2-o​xo-1-phen​ylethyl](​2-furanyl​methyl)am​ino]-2-ox​oethyl]-,​ 1,1-dime​thylethyl​ ester

tert-buty​l (2-{[2-​(tert-but​ylamino)-​2-oxo-1-p​henylethy​l](furan-​2-ylmethy​l)amino}-​2-oxoethy​l)carbama​te

ACD/LogP: 3.74 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.74 ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 8 #H bond donors: 2
#Freely Rotating Bonds: 10 Polar Surface Area: 100.88 Å2
Index of Refraction: 1.536 Molar Refractivity: 120.86 cm3
Molar Volume: 387.2 cm3 Polarizability: 47.91 10-24cm3
Surface Tension: 43.1 dyne/cm Density: 1.145 g/cm3
Flash Point: 342.2 °C Enthalpy of Vaporization: 94.78 kJ/mol
Boiling Point: 642.1 °C at 760 mmHg Vapour Pressure: 2.21E-16 mmHg at 25°C
Spectra
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DateSeverityStatusFeedback
22/08/2008 11:52:58NormalFixedThe Spectrum was collected with the help of Anthony William at Drexel university
Verdict: Thanks for the recognition
22/08/2008 11:51:56NormalFixedDr. Bradley Research Group Dept. Of Chemistry Drexel univeristy
Verdict: Acknowledged