N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

C17H23F3N2O3 — CID 55770776

IUPACN-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-5-22(10-14(23)21-16(2,3)4)15(24)11-25-13-8-6-12(7-9-13)17(18,19)20/h6-9H,5,10-11H2,1-4H3,(H,21,23)
InChIKeyVIXSFLSIKKKPLM-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.85
Rot. Bonds6

About N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (PubChem CID 55770776) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
PubChem CID55770776
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC NameN-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-5-22(10-14(23)21-16(2,3)4)15(24)11-25-13-8-6-12(7-9-13)17(18,19)20/h6-9H,5,10-11H2,1-4H3,(H,21,23)
InChIKeyVIXSFLSIKKKPLM-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 51193404
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide
CID 39903137
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
N-ethyl-2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 9286983
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 35363009
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
CID 2113270
N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide
CID 2442939
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
CID 26266273
2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 18110379
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (CID 55770776) is N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The InChIKey is VIXSFLSIKKKPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-5-22(10-14(23)21-16(2,3)4)15(24)11-25-13-8-6-12(7-9-13)17(18,19)20/h6-9H,5,10-11H2,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide has a molecular weight of 360.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 55770776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).