ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate

C17H24ClN3O2 — CID 6022673

IUPACethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate
SMILESCCOC(=O)/C(=N\Nc1ccccc1Cl)N(C)C1CCCCC1
InChIInChI=1S/C17H24ClN3O2/c1-3-23-17(22)16(21(2)13-9-5-4-6-10-13)20-19-15-12-8-7-11-14(15)18/h7-8,11-13,19H,3-6,9-10H2,1-2H3/b20-16+
InChIKeyFYJNZHPFVLWURE-CAPFRKAQSA-N
MW337.85 g/mol
LogP3.89
Rot. Bonds4

About ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate

ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate (PubChem CID 6022673) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate
PubChem CID6022673
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Nameethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate
SMILESCCOC(=O)/C(=N\Nc1ccccc1Cl)N(C)C1CCCCC1
InChIInChI=1S/C17H24ClN3O2/c1-3-23-17(22)16(21(2)13-9-5-4-6-10-13)20-19-15-12-8-7-11-14(15)18/h7-8,11-13,19H,3-6,9-10H2,1-2H3/b20-16+
InChIKeyFYJNZHPFVLWURE-CAPFRKAQSA-N
XLogP3.89
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate?
The IUPAC name of ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate (CID 6022673) is ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate.
What is the SMILES notation for ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate?
The canonical SMILES for ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate is CCOC(=O)/C(=N\Nc1ccccc1Cl)N(C)C1CCCCC1.
What is the InChIKey of ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate?
The InChIKey is FYJNZHPFVLWURE-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-23-17(22)16(21(2)13-9-5-4-6-10-13)20-19-15-12-8-7-11-14(15)18/h7-8,11-13,19H,3-6,9-10H2,1-2H3/b20-16+.
What are the key properties of ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate?
ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate has a molecular weight of 337.85 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate is sourced from PubChem (CID 6022673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).