2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

C14H17F3N3O2+ — CID 5168189

IUPAC2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(C[NH+]1CCOCC1)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)12-4-2-1-3-11(12)9-18-19-13(21)10-20-5-7-22-8-6-20/h1-4,9H,5-8,10H2,(H,19,21)/p+1
InChIKeyGCSFEZHXVDOLLJ-UHFFFAOYSA-O
MW316.30 g/mol
LogP0.07
Rot. Bonds4

About 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 5168189) has the molecular formula C14H17F3N3O2+ and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID5168189
Molecular FormulaC14H17F3N3O2+
Molecular Weight316.30 g/mol
Exact Mass316.13
IUPAC Name2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(C[NH+]1CCOCC1)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)12-4-2-1-3-11(12)9-18-19-13(21)10-20-5-7-22-8-6-20/h1-4,9H,5-8,10H2,(H,19,21)/p+1
InChIKeyGCSFEZHXVDOLLJ-UHFFFAOYSA-O
XLogP0.07
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-morpholinyl)-N'-(1-naphthylmethylene)acetohydrazide
CID 6894999
(E)-N'-benzylidene-2-morpholinoacetohydrazide
CID 9642745
(E)-N'-((E)-2-bromo-3-phenylallylidene)-2-morpholinoacetohydrazide
CID 9692963
N-(2-Methoxy-ethyl)-2-oxo-2-[N'-(2-trifluoromethyl-benzylidene)-hydrazino]-acetamide
CID 9593473
2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9593899
N-[3-(morpholin-4-yl)propyl]-2-oxo-2-{(2E)-2-[4-(propan-2-yl)benzylidene]hydrazinyl}acetamide
CID 6889705
2-morpholin-4-yl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 9593702
2-[(2E)-2-benzylidenehydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 17588353
2-[(2E)-2-(4-tert-butylbenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9635663
4-Morpholineacetic acid, 2-(2,4,6-trimethylbenzylidine)hydrazide, hydrochloride
CID 9588175
4-Morpholineacetic acid, ((2,3,5,6-tetramethylphenyl)methylene)hydrazide
CID 9588178
4-Morpholineacetic acid, 2-(1-naphthylmethylene)hydrazide, hydrochloride
CID 9588182

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 5168189) is 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is O=C(C[NH+]1CCOCC1)NN=Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is GCSFEZHXVDOLLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)12-4-2-1-3-11(12)9-18-19-13(21)10-20-5-7-22-8-6-20/h1-4,9H,5-8,10H2,(H,19,21)/p+1.
What are the key properties of 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 316.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5168189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).