2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C14H19F3N2O — CID 79814612

IUPAC2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCCC(N)(CC)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-3-13(18,4-2)12(20)19-9-10-5-7-11(8-6-10)14(15,16)17/h5-8H,3-4,9,18H2,1-2H3,(H,19,20)
InChIKeyOZPFGGVBCLJUPA-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.84
Rot. Bonds5

About 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 79814612) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID79814612
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCCC(N)(CC)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-3-13(18,4-2)12(20)19-9-10-5-7-11(8-6-10)14(15,16)17/h5-8H,3-4,9,18H2,1-2H3,(H,19,20)
InChIKeyOZPFGGVBCLJUPA-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide
CID 79810288
2,2-dimethyl-3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 82821771
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
CID 79809845
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 61382588
1-pentan-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134001787
5-[[(2-amino-2-ethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099373
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 79814612) is 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CCC(N)(CC)C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is OZPFGGVBCLJUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-13(18,4-2)12(20)19-9-10-5-7-11(8-6-10)14(15,16)17/h5-8H,3-4,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 288.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 79814612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).