N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide

C17H23F3N2O2 — CID 134059299

IUPACN-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCC(C)C
InChIInChI=1S/C17H23F3N2O2/c1-4-22(16(24)10-9-12(2)3)11-15(23)21-14-8-6-5-7-13(14)17(18,19)20/h5-8,12H,4,9-11H2,1-3H3,(H,21,23)
InChIKeyXUOLCNAUWWXSDV-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.93
Rot. Bonds7

About N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide

N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide (PubChem CID 134059299) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
PubChem CID134059299
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCC(C)C
InChIInChI=1S/C17H23F3N2O2/c1-4-22(16(24)10-9-12(2)3)11-15(23)21-14-8-6-5-7-13(14)17(18,19)20/h5-8,12H,4,9-11H2,1-3H3,(H,21,23)
InChIKeyXUOLCNAUWWXSDV-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-3-(4-fluorophenyl)sulfanyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24982335
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596462
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7958698
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119682089
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 55687062

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide?
The IUPAC name of N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide (CID 134059299) is N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide.
What is the SMILES notation for N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide?
The canonical SMILES for N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCC(C)C.
What is the InChIKey of N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide?
The InChIKey is XUOLCNAUWWXSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-4-22(16(24)10-9-12(2)3)11-15(23)21-14-8-6-5-7-13(14)17(18,19)20/h5-8,12H,4,9-11H2,1-3H3,(H,21,23).
What are the key properties of N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide?
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide has a molecular weight of 344.38 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide is sourced from PubChem (CID 134059299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).