[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate

C17H23F3N2O4 — CID 59536818

IUPAC[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O4/c1-5-21-14(23)25-10-13(22-15(24)26-16(2,3)4)11-8-6-7-9-12(11)17(18,19)20/h6-9,13H,5,10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeySMZQJSDAALOANO-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.02
Rot. Bonds5

About [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate

[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate (PubChem CID 59536818) has the molecular formula C17H23F3N2O4 and a molecular weight of 376.38 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate
PubChem CID59536818
Molecular FormulaC17H23F3N2O4
Molecular Weight376.38 g/mol
Exact Mass376.16
IUPAC Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O4/c1-5-21-14(23)25-10-13(22-15(24)26-16(2,3)4)11-8-6-7-9-12(11)17(18,19)20/h6-9,13H,5,10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeySMZQJSDAALOANO-UHFFFAOYSA-N
XLogP4.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate with MolForge

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
4-Phenyloxazolidin-2-one
CID 349728
N-[(1R)-2-[(Methylsulfonyl)oxy]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester
CID 11723227
2-Oxazolidinone, 5-((2-(trifluoromethyl)phenyl)methyl)-
CID 3046896
tert-butyl N-((1S)-1-(3-fluorophenyl)-2-hydroxyethyl)carbamate
CID 66763747
tert-Butyl (2-hydroxy-1-phenylethyl)carbamate
CID 5050210
(S)-2-((N-tert-Butoxycarbonyl)amino)-2-phenylethanol
CID 7016462
tert-butyl N-{2-amino-2-[2-(trifluoromethyl)phenyl]ethyl}carbamate
CID 16244624
tert-butyl N-[2-hydroxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
CID 123306848
tert-butyl (S)-2-((ethoxycarbonyl)methoxy)-1-(3-fluorophenyl)ethylcarbamate
CID 70846803

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate (CID 59536818) is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate is CCNC(=O)OCC(NC(=O)OC(C)(C)C)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate?
The InChIKey is SMZQJSDAALOANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O4/c1-5-21-14(23)25-10-13(22-15(24)26-16(2,3)4)11-8-6-7-9-12(11)17(18,19)20/h6-9,13H,5,10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate?
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate has a molecular weight of 376.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate is sourced from PubChem (CID 59536818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).