2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

C13H17F3N2O — CID 62833542

IUPAC2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-4-17-12(2,3)11(19)18-10-7-5-9(6-8-10)13(14,15)16/h5-8,17H,4H2,1-3H3,(H,18,19)
InChIKeyHRQXWNISCRUOHV-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.03
Rot. Bonds4

About 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 62833542) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID62833542
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-4-17-12(2,3)11(19)18-10-7-5-9(6-8-10)13(14,15)16/h5-8,17H,4H2,1-3H3,(H,18,19)
InChIKeyHRQXWNISCRUOHV-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-methyl-N-(4-methylsulfonylphenyl)propanamide
CID 55121565
4-[[2-(ethylamino)-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)benzamide
CID 62833619
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62832358
2-(ethylamino)-N-(4-ethyl-3-methylphenyl)-2-methylpropanamide
CID 114250279
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071374
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
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3-(ethylamino)-3-[4-(trifluoromethyl)phenyl]butanoic acid
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N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 62833542) is 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is CCNC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HRQXWNISCRUOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-4-17-12(2,3)11(19)18-10-7-5-9(6-8-10)13(14,15)16/h5-8,17H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 274.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 62833542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).