2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide

C17H22F3N3O3 — CID 18112777

IUPAC2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
SMILESCC(=O)NC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)C(C)C
InChIInChI=1S/C17H22F3N3O3/c1-10(2)15(21-11(3)24)16(26)23(4)9-14(25)22-13-8-6-5-7-12(13)17(18,19)20/h5-8,10,15H,9H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyCAATXJSVHOVSSY-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.26
Rot. Bonds6

About 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide

2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide (PubChem CID 18112777) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide.

Molecular Properties

Compound Name2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
PubChem CID18112777
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
SMILESCC(=O)NC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)C(C)C
InChIInChI=1S/C17H22F3N3O3/c1-10(2)15(21-11(3)24)16(26)23(4)9-14(25)22-13-8-6-5-7-12(13)17(18,19)20/h5-8,10,15H,9H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyCAATXJSVHOVSSY-UHFFFAOYSA-N
XLogP2.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide with MolForge

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Related Compounds

N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide
CID 24545770
2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42919555
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 98539892
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
2-[methyl-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 119913186
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
CID 119913712
N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55344394
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 55827200
2-[[2-(benzenesulfonyl)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112779762

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
The IUPAC name of 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide (CID 18112777) is 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide.
What is the SMILES notation for 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
The canonical SMILES for 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide is CC(=O)NC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)C(C)C.
What is the InChIKey of 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
The InChIKey is CAATXJSVHOVSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-10(2)15(21-11(3)24)16(26)23(4)9-14(25)22-13-8-6-5-7-12(13)17(18,19)20/h5-8,10,15H,9H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide?
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide has a molecular weight of 373.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide is sourced from PubChem (CID 18112777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).