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

C14H17F3N3O2+ — CID 6289749

IUPAC2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(C[NH+]1CCOCC1)N/N=C\c1ccccc1C(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/b18-9-
InChIKeyGCSFEZHXVDOLLJ-NVMNQCDNSA-O
MW316.30 g/mol
LogP0.07
Rot. Bonds4

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

2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 6289749) 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-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID6289749
Molecular FormulaC14H17F3N3O2+
Molecular Weight316.30 g/mol
Exact Mass316.13
IUPAC Name2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(C[NH+]1CCOCC1)N/N=C\c1ccccc1C(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/b18-9-
InChIKeyGCSFEZHXVDOLLJ-NVMNQCDNSA-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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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 6289749) is 2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is O=C(C[NH+]1CCOCC1)N/N=C\c1ccccc1C(F)(F)F.
What is the InChIKey of 2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is GCSFEZHXVDOLLJ-NVMNQCDNSA-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/b18-9-.
What are the key properties of 2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-morpholin-4-ium-4-yl-N-[(Z)-[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-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6289749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).