4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid

C15H19F3N2O3 — CID 119934823

IUPAC4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid
SMILESCCN(CCCC(=O)O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-2-20(9-5-8-14(22)23)10-13(21)19-12-7-4-3-6-11(12)15(16,17)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyJPRGEJFTYIBDDM-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.83
Rot. Bonds8

About 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid

4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid (PubChem CID 119934823) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid
PubChem CID119934823
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid
SMILESCCN(CCCC(=O)O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-2-20(9-5-8-14(22)23)10-13(21)19-12-7-4-3-6-11(12)15(16,17)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyJPRGEJFTYIBDDM-UHFFFAOYSA-N
XLogP2.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 55482287
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78832350
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24506960
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-(2-cyanoethyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 34691947
2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26514549
3-[octyl-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]amino]-N-phenylpropanamide
CID 155547152
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid?
The IUPAC name of 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid (CID 119934823) is 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid.
What is the SMILES notation for 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid?
The canonical SMILES for 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid is CCN(CCCC(=O)O)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid?
The InChIKey is JPRGEJFTYIBDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-2-20(9-5-8-14(22)23)10-13(21)19-12-7-4-3-6-11(12)15(16,17)18/h3-4,6-7H,2,5,8-10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid?
4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid has a molecular weight of 332.32 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]butanoic acid is sourced from PubChem (CID 119934823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).