N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid

C11H17F3N2O4 — CID 68634217

IUPACN'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)C(N)=O)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O2.C2HF3O2/c1-11(9(13)8(10)12)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H2,10,12);(H,6,7)
InChIKeyOBMRUZDNGANKAT-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.90
Rot. Bonds1

About N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid

N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid (PubChem CID 68634217) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid
PubChem CID68634217
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC NameN'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)C(N)=O)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O2.C2HF3O2/c1-11(9(13)8(10)12)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H2,10,12);(H,6,7)
InChIKeyOBMRUZDNGANKAT-UHFFFAOYSA-N
XLogP0.90
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-2-piperazinone trifluoroacetate
CID 53398839
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 68531637
N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 69061121
2-amino-N-(4-aminocyclohexyl)-N,2-dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 69700683
(2S)-2-(cyclohexylamino)-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 69908093
(2S)-2-(cyclohexylamino)-1-pyrrolidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 69908686
2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 142280974
2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 157262476
2-[(3R)-3-amino-1-methylpiperidin-1-ium-1-yl]-N-ethylacetamide;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 161072698
2-[(3S)-3-amino-1-methylpiperidin-1-ium-1-yl]-N-ethylacetamide;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 161072699
N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
CID 170305905
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726524

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid (CID 68634217) is N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid is CN(C(=O)C(N)=O)C1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid?
The InChIKey is OBMRUZDNGANKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.C2HF3O2/c1-11(9(13)8(10)12)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H2,10,12);(H,6,7).
What are the key properties of N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid?
N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid has a molecular weight of 298.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68634217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).