4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

C14H19F3N2O — CID 81075244

IUPAC4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(CN)CC(=O)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-11(8-18)7-13(20)19(10-14(15,16)17)9-12-5-3-2-4-6-12/h2-6,11H,7-10,18H2,1H3
InChIKeyBYGQBGNUXQHVDB-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.56
Rot. Bonds6

About 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 81075244) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID81075244
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(CN)CC(=O)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-11(8-18)7-13(20)19(10-14(15,16)17)9-12-5-3-2-4-6-12/h2-6,11H,7-10,18H2,1H3
InChIKeyBYGQBGNUXQHVDB-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515
3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
CID 119774602
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 30393194
2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79814224
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
3-(aminomethyl)-N,N-dibenzylpentanamide
CID 130162934
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728
2-benzylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86998537
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18194956

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 81075244) is 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is CC(CN)CC(=O)N(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is BYGQBGNUXQHVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-11(8-18)7-13(20)19(10-14(15,16)17)9-12-5-3-2-4-6-12/h2-6,11H,7-10,18H2,1H3.
What are the key properties of 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 288.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 81075244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).