ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate

C16H22ClN3O3 — CID 6311719

IUPACethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
SMILESCCOC(=O)/C(=N\Nc1ccccc1Cl)N1CC(C)OC(C)C1
InChIInChI=1S/C16H22ClN3O3/c1-4-22-16(21)15(20-9-11(2)23-12(3)10-20)19-18-14-8-6-5-7-13(14)17/h5-8,11-12,18H,4,9-10H2,1-3H3/b19-15+
InChIKeyZLFSWGJKLUHBMU-XDJHFCHBSA-N
MW339.82 g/mol
LogP2.74
Rot. Bonds3

About ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate

ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate (PubChem CID 6311719) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
PubChem CID6311719
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Nameethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
SMILESCCOC(=O)/C(=N\Nc1ccccc1Cl)N1CC(C)OC(C)C1
InChIInChI=1S/C16H22ClN3O3/c1-4-22-16(21)15(20-9-11(2)23-12(3)10-20)19-18-14-8-6-5-7-13(14)17/h5-8,11-12,18H,4,9-10H2,1-3H3/b19-15+
InChIKeyZLFSWGJKLUHBMU-XDJHFCHBSA-N
XLogP2.74
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-morpholin-4-ylacetate
CID 5666258
2-(4-Benzylpiperazino)-2-[(2-chlorophenyl)hydrazono]acetic acid ethyl ester
CID 5665294
ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-methylpiperazin-1-yl)acetate
CID 5666537
ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate
CID 6900182
ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate
CID 6022673
2-[(2,5-Dichlorophenyl)hydrazono]-2-(2,6-dimethylmorpholino)acetic acid ethyl ester
CID 6268339
1-(4-Morpholinyl)-1-(phenylhydrazono)acetone
CID 5344337
ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(4-methylpiperazin-1-yl)acetate
CID 5665292
1-[(3-Chlorophenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642880
(3Z)-3-[(2,5-dichlorophenyl)hydrazinylidene]-4-methylmorpholin-2-one
CID 5668656
(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
CID 5410497
ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-piperidin-1-ylacetate
CID 5664842

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate?
The IUPAC name of ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate (CID 6311719) is ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate.
What is the SMILES notation for ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate?
The canonical SMILES for ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate is CCOC(=O)/C(=N\Nc1ccccc1Cl)N1CC(C)OC(C)C1.
What is the InChIKey of ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate?
The InChIKey is ZLFSWGJKLUHBMU-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-4-22-16(21)15(20-9-11(2)23-12(3)10-20)19-18-14-8-6-5-7-13(14)17/h5-8,11-12,18H,4,9-10H2,1-3H3/b19-15+.
What are the key properties of ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate?
ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate has a molecular weight of 339.82 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate is sourced from PubChem (CID 6311719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).