2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid

C13H17F3N2O3 — CID 68774111

IUPAC2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(C)(C(N)=O)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2O.C2HF3O2/c1-11(10(12)14,13(2)3)9-7-5-4-6-8-9;3-2(4,5)1(6)7/h4-8H,1-3H3,(H2,12,14);(H,6,7)
InChIKeyOHOHJBOXTROHMA-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.58
Rot. Bonds3

About 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid

2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 68774111) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID68774111
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(C)(C(N)=O)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2O.C2HF3O2/c1-11(10(12)14,13(2)3)9-7-5-4-6-8-9;3-2(4,5)1(6)7/h4-8H,1-3H3,(H2,12,14);(H,6,7)
InChIKeyOHOHJBOXTROHMA-UHFFFAOYSA-N
XLogP1.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
(2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 161347199
2-(dimethylamino)-2,2-diphenylacetic acid
CID 175762255
3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butanoic acid
CID 90031724
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 67717201
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131
methanol;toluene;2,2,2-trifluoroacetic acid
CID 175547904
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
ethyl 3,3,3-trifluoro-2-methyl-2-phenylpropanoate;2,2,2-trifluoroacetic acid
CID 174398683
2-ethenyl-2-phenylbut-3-enamide
CID 121008159

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid (CID 68774111) is 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid is CN(C)C(C)(C(N)=O)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is OHOHJBOXTROHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2HF3O2/c1-11(10(12)14,13(2)3)9-7-5-4-6-8-9;3-2(4,5)1(6)7/h4-8H,1-3H3,(H2,12,14);(H,6,7).
What are the key properties of 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid?
2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 306.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68774111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).