N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H21F3N2O — CID 79005691

IUPACN-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H21F3N2O/c1-9(10-5-3-2-4-6-10)17-11(18)7-16-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyXSOSHKVOQGQJOV-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.22
Rot. Bonds5

About N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79005691) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79005691
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H21F3N2O/c1-9(10-5-3-2-4-6-10)17-11(18)7-16-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyXSOSHKVOQGQJOV-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81389110
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide
CID 81393460
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide
CID 81393093
N-[(1R)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388659
N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388626
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958094
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N-(1-piperidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958032

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79005691) is N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(NC(=O)CNCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is XSOSHKVOQGQJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(10-5-3-2-4-6-10)17-11(18)7-16-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 266.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79005691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).