ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate

C16H21Cl2N3O3 — CID 6268339

IUPACethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
SMILESCCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CC(C)OC(C)C1
InChIInChI=1S/C16H21Cl2N3O3/c1-4-23-16(22)15(21-8-10(2)24-11(3)9-21)20-19-14-7-12(17)5-6-13(14)18/h5-7,10-11,19H,4,8-9H2,1-3H3/b20-15+
InChIKeyJCHMFMSWRWHRFI-HMMYKYKNSA-N
MW374.27 g/mol
LogP3.39
Rot. Bonds3

About ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate

ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate (PubChem CID 6268339) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
PubChem CID6268339
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC Nameethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
SMILESCCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CC(C)OC(C)C1
InChIInChI=1S/C16H21Cl2N3O3/c1-4-23-16(22)15(21-8-10(2)24-11(3)9-21)20-19-14-7-12(17)5-6-13(14)18/h5-7,10-11,19H,4,8-9H2,1-3H3/b20-15+
InChIKeyJCHMFMSWRWHRFI-HMMYKYKNSA-N
XLogP3.39
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate?
The IUPAC name of ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate (CID 6268339) is ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate.
What is the SMILES notation for ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate?
The canonical SMILES for ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate is CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CC(C)OC(C)C1.
What is the InChIKey of ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate?
The InChIKey is JCHMFMSWRWHRFI-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H21Cl2N3O3/c1-4-23-16(22)15(21-8-10(2)24-11(3)9-21)20-19-14-7-12(17)5-6-13(14)18/h5-7,10-11,19H,4,8-9H2,1-3H3/b20-15+.
What are the key properties of ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate?
ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate has a molecular weight of 374.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate is sourced from PubChem (CID 6268339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).