[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate

C23H20N2O4 — CID 6241876

IUPAC[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-2-28-20-14-10-19(11-15-20)23(27)29-21-12-8-17(9-13-21)16-24-25-22(26)18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,25,26)/b24-16-
InChIKeyLYKHCUXOEWZRRY-JLPGSUDCSA-N
MW388.42 g/mol
LogP4.07
Rot. Bonds7

About [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate

[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate (PubChem CID 6241876) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
PubChem CID6241876
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O4/c1-2-28-20-14-10-19(11-15-20)23(27)29-21-12-8-17(9-13-21)16-24-25-22(26)18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,25,26)/b24-16-
InChIKeyLYKHCUXOEWZRRY-JLPGSUDCSA-N
XLogP4.07
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6047587
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
[4-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3514930
[4-[[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3848106
[4-[(carbamoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 3742555
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3857538
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6011084
[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 5007447
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940
[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 5165136

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate?
The IUPAC name of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate (CID 6241876) is [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate.
What is the SMILES notation for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate?
The canonical SMILES for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate?
The InChIKey is LYKHCUXOEWZRRY-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-2-28-20-14-10-19(11-15-20)23(27)29-21-12-8-17(9-13-21)16-24-25-22(26)18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,25,26)/b24-16-.
What are the key properties of [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate?
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate has a molecular weight of 388.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate is sourced from PubChem (CID 6241876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).