(2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C12H21F3N2O2 — CID 170701855

IUPAC(2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H21F3N2O2/c1-6-17(7-2)9(18)8(11(3,4)5)16-10(19)12(13,14)15/h8H,6-7H2,1-5H3,(H,16,19)/t8-/m1/s1
InChIKeyXLSSKQZVWIJSQB-MRVPVSSYSA-N
MW282.31 g/mol
LogP1.95
Rot. Bonds4

About (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

(2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 170701855) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID170701855
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name(2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H21F3N2O2/c1-6-17(7-2)9(18)8(11(3,4)5)16-10(19)12(13,14)15/h8H,6-7H2,1-5H3,(H,16,19)/t8-/m1/s1
InChIKeyXLSSKQZVWIJSQB-MRVPVSSYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
(2S)-2-(3,3-dimethylbutanoylamino)-N',N'-dimethyl-N-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)butanediamide
CID 10571876
(S)-2-amino-N,N-diethyl-3,3-dimethylbutanamide
CID 25067345
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-(t-butyl)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907255
N-cyclohexyl-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907277
3,3-dimethyl-N-octyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907302
2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 72133199
(2S)-N,3,3-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 12054385
(2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 53733314
4,4-difluoro-N-methyl-2-(methylamino)-N-(2-methyl-3-oxobutan-2-yl)pentanamide
CID 57535383

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 170701855) is (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is CCN(CC)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is XLSSKQZVWIJSQB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-6-17(7-2)9(18)8(11(3,4)5)16-10(19)12(13,14)15/h8H,6-7H2,1-5H3,(H,16,19)/t8-/m1/s1.
What are the key properties of (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
(2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 282.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 170701855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).