tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate

C15H19F3N2O4 — CID 38207855

IUPACtert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O4/c1-14(2,3)24-13(22)19-8-7-12(21)20-10-5-4-6-11(9-10)23-15(16,17)18/h4-6,9H,7-8H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyAIJPILSMNQCXTF-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate

tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate (PubChem CID 38207855) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
PubChem CID38207855
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Nametert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O4/c1-14(2,3)24-13(22)19-8-7-12(21)20-10-5-4-6-11(9-10)23-15(16,17)18/h4-6,9H,7-8H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyAIJPILSMNQCXTF-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylethyl]carbamate
CID 84551861
tert-butyl N-[3-oxo-3-[3-[(2,2,2-trifluoroacetyl)amino]anilino]propyl]carbamate
CID 108919991
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 38207270
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
tert-butyl N-[3-[3-[[2-(2-methoxyphenyl)acetyl]amino]anilino]-3-oxopropyl]carbamate
CID 108920115
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
tert-butyl N-[3-[3-[3-(4-methylphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920089
tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate
CID 9210708
tert-butyl N-[3-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921420
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate (CID 38207855) is tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate?
The InChIKey is AIJPILSMNQCXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-14(2,3)24-13(22)19-8-7-12(21)20-10-5-4-6-11(9-10)23-15(16,17)18/h4-6,9H,7-8H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate?
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate has a molecular weight of 348.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate is sourced from PubChem (CID 38207855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).