N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide

C13H23F3N2O — CID 78958094

IUPACN-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)C1CCCCC1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-9(2)10-5-3-4-6-11(10)18-12(19)7-17-8-13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyIMVZOOHWTYKTGE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds5

About N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958094) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958094
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)C1CCCCC1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-9(2)10-5-3-4-6-11(10)18-12(19)7-17-8-13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyIMVZOOHWTYKTGE-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
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
N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79005691
N-(2-methylcyclopropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958386
2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide
CID 103733541
N-(1-piperidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958032
1-(2-propan-2-ylcyclohexyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 86888627
2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide
CID 24869371
N-[(2R)-1-hydroxypropan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 107218513
N-cyclopentyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43402010
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861
N-propan-2-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758473
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 81489736

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958094) is N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)C1CCCCC1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IMVZOOHWTYKTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-9(2)10-5-3-4-6-11(10)18-12(19)7-17-8-13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).