tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate

C15H19F3N2O4 — CID 60596060

IUPACtert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O4/c1-14(2,3)24-13(22)19-8-12(21)20-10-6-4-5-7-11(10)23-9-15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDNLSDIFXEXCTSI-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.09
Rot. Bonds5

About tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate (PubChem CID 60596060) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
PubChem CID60596060
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Nametert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O4/c1-14(2,3)24-13(22)19-8-12(21)20-10-6-4-5-7-11(10)23-9-15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDNLSDIFXEXCTSI-UHFFFAOYSA-N
XLogP3.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
tert-butyl N-[2-[2-(cyclopentanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917443
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
tert-butyl N-[2-[2-[[(E)-but-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917462
tert-butyl N-[2-[2-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917369
N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55506183
tert-butyl N-[2-oxo-2-[2-(4-phenoxybutanoylamino)anilino]ethyl]carbamate
CID 108917353

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate (CID 60596060) is tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate?
The InChIKey is DNLSDIFXEXCTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-14(2,3)24-13(22)19-8-12(21)20-10-6-4-5-7-11(10)23-9-15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate has a molecular weight of 348.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate is sourced from PubChem (CID 60596060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).