ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate

C17H18N2O2 — CID 159563587

IUPACethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-17(20)16(14-11-9-13(2)10-12-14)19-18-15-7-5-4-6-8-15/h4-12,18H,3H2,1-2H3/b19-16+
InChIKeyMGXSPVFIWQWOKV-KNTRCKAVSA-N
MW282.34 g/mol
LogP3.37
Rot. Bonds5

About ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate

ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate (PubChem CID 159563587) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
PubChem CID159563587
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nameethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-17(20)16(14-11-9-13(2)10-12-14)19-18-15-7-5-4-6-8-15/h4-12,18H,3H2,1-2H3/b19-16+
InChIKeyMGXSPVFIWQWOKV-KNTRCKAVSA-N
XLogP3.37
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate
CID 137187314
ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
CID 71428518
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 7661905

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate?
The IUPAC name of ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate (CID 159563587) is ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate is CCOC(=O)/C(=N/Nc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate?
The InChIKey is MGXSPVFIWQWOKV-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-21-17(20)16(14-11-9-13(2)10-12-14)19-18-15-7-5-4-6-8-15/h4-12,18H,3H2,1-2H3/b19-16+.
What are the key properties of ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate?
ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate has a molecular weight of 282.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate is sourced from PubChem (CID 159563587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).