N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C12H21F3N2O2 — CID 172907255

IUPACN-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)(C)NC(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H21F3N2O2/c1-10(2,3)7(8(18)17-11(4,5)6)16-9(19)12(13,14)15/h7H,1-6H3,(H,16,19)(H,17,18)
InChIKeyDJWNURFCKZGCKJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.99
Rot. Bonds2

About N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 172907255) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID172907255
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)(C)NC(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H21F3N2O2/c1-10(2,3)7(8(18)17-11(4,5)6)16-9(19)12(13,14)15/h7H,1-6H3,(H,16,19)(H,17,18)
InChIKeyDJWNURFCKZGCKJ-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-3-methyl-N-[(S)-1-(3,3,3-trifluoro-1-methyl-2-oxo-propylcarbamoyl)-ethyl]-butyramide
CID 10503801
(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-3-methyl-N-[(R)-1-(3,3,3-trifluoro-1-methyl-2-oxo-propylcarbamoyl)-ethyl]-butyramide
CID 10647279
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
L-alanyl-L-valinamide
CID 7019981
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
US8722896, N-[(2S)-2-Aminopropanoyl]-(2R)-valylamide
CID 58080472
(2s)-1-{[(2s)-1-Amino-3-Methyl-1-Oxobutan-2-Yl]amino}-1-Oxopropan-2-Aminium
CID 7019980
N,N,3,3-tetramethyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907235
3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-cyclohexyl-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907277

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 172907255) is N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is CC(C)(C)NC(=O)C(NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is DJWNURFCKZGCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-10(2,3)7(8(18)17-11(4,5)6)16-9(19)12(13,14)15/h7H,1-6H3,(H,16,19)(H,17,18).
What are the key properties of N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 282.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 172907255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).