2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C15H20F3N2O2+ — CID 7345527

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1
InChIInChI=1S/C15H19F3N2O2/c1-10-7-20(8-11(2)22-10)9-14(21)19-13-5-3-4-12(6-13)15(16,17)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,21)/p+1/t10-,11-/m1/s1
InChIKeyXJQZFHHMHTUURG-GHMZBOCLSA-O
MW317.33 g/mol
LogP1.34
Rot. Bonds3

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7345527) has the molecular formula C15H20F3N2O2+ and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7345527
Molecular FormulaC15H20F3N2O2+
Molecular Weight317.33 g/mol
Exact Mass317.15
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1
InChIInChI=1S/C15H19F3N2O2/c1-10-7-20(8-11(2)22-10)9-14(21)19-13-5-3-4-12(6-13)15(16,17)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,21)/p+1/t10-,11-/m1/s1
InChIKeyXJQZFHHMHTUURG-GHMZBOCLSA-O
XLogP1.34
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8895949
N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8899697
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide
CID 2608440
N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2653002
2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8720454
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
N-(3-methylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435502
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
2-[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8999626
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7345527) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is C[C@@H]1C[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XJQZFHHMHTUURG-GHMZBOCLSA-O. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-7-20(8-11(2)22-10)9-14(21)19-13-5-3-4-12(6-13)15(16,17)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,21)/p+1/t10-,11-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 317.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7345527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).