N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide

C16H21F3N2O3 — CID 51103434

IUPACN-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC(C)OC
InChIInChI=1S/C16H21F3N2O3/c1-4-21(15(23)9-11(2)24-3)10-14(22)20-13-8-6-5-7-12(13)16(17,18)19/h5-8,11H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyZWAGFTHQJKOMKZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.92
Rot. Bonds7

About N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide

N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide (PubChem CID 51103434) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
PubChem CID51103434
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC NameN-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC(C)OC
InChIInChI=1S/C16H21F3N2O3/c1-4-21(15(23)9-11(2)24-3)10-14(22)20-13-8-6-5-7-12(13)16(17,18)19/h5-8,11H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyZWAGFTHQJKOMKZ-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
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
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
CID 26356542
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
N-ethyl-2-(3-methoxyphenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357194
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18552332
N-ethyl-2,4,5-trimethoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26357174

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
The IUPAC name of N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide (CID 51103434) is N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide.
What is the SMILES notation for N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
The canonical SMILES for N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CC(C)OC.
What is the InChIKey of N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
The InChIKey is ZWAGFTHQJKOMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-4-21(15(23)9-11(2)24-3)10-14(22)20-13-8-6-5-7-12(13)16(17,18)19/h5-8,11H,4,9-10H2,1-3H3,(H,20,22).
What are the key properties of N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide has a molecular weight of 346.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide is sourced from PubChem (CID 51103434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).