1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide

C12H20F3N3O2 — CID 60946592

IUPAC1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCCCC1
InChIInChI=1S/C12H20F3N3O2/c1-18(7-9(19)17-8-12(13,14)15)10(20)11(16)5-3-2-4-6-11/h2-8,16H2,1H3,(H,17,19)
InChIKeyPPEAMBCCLLOCTG-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.78
Rot. Bonds4

About 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide

1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 60946592) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID60946592
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCCCC1
InChIInChI=1S/C12H20F3N3O2/c1-18(7-9(19)17-8-12(13,14)15)10(20)11(16)5-3-2-4-6-11/h2-8,16H2,1H3,(H,17,19)
InChIKeyPPEAMBCCLLOCTG-UHFFFAOYSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
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CID 127054393
N-2,3-difluorobenzoyl-L-leucine-glycine nitrile (22)
CID 127054394
1-(Formyl-isopropyl-amino)-cyclohexanecarboxylic acid cyclohexylamide
CID 651913
2-(cyclohexylformamido)-N,N-dimethylacetamide
CID 800131
1-[(N-acetylglycyl)amino]-N-cyclopentylcyclohexanecarboxamide
CID 3242198
1-amino-N,N-diethylcyclohexane-1-carboxamide
CID 24696467
1-amino-N-butylcyclohexane-1-carboxamide
CID 24690155
1-amino-N-propylcyclohexane-1-carboxamide
CID 24701829
(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 75411486
N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 110196347
1-amino-N-ethylcyclohexane-1-carboxamide hydrochloride
CID 42948598

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide (CID 60946592) is 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is PPEAMBCCLLOCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-18(7-9(19)17-8-12(13,14)15)10(20)11(16)5-3-2-4-6-11/h2-8,16H2,1H3,(H,17,19).
What are the key properties of 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide?
1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60946592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).