4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate

C20H20N3O5- — CID 8898414

IUPAC4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESCCOc1ccc(C(=O)[O-])cc1/C=N\NC(=O)C(=O)Nc1ccccc1CC
InChIInChI=1S/C20H21N3O5/c1-3-13-7-5-6-8-16(13)22-18(24)19(25)23-21-12-15-11-14(20(26)27)9-10-17(15)28-4-2/h5-12H,3-4H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/p-1/b21-12-
InChIKeyALRDXIFCXQVDQI-MTJSOVHGSA-M
MW382.40 g/mol
LogP1.10
Rot. Bonds7

About 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate

4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate (PubChem CID 8898414) has the molecular formula C20H20N3O5- and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
PubChem CID8898414
Molecular FormulaC20H20N3O5-
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESCCOc1ccc(C(=O)[O-])cc1/C=N\NC(=O)C(=O)Nc1ccccc1CC
InChIInChI=1S/C20H21N3O5/c1-3-13-7-5-6-8-16(13)22-18(24)19(25)23-21-12-15-11-14(20(26)27)9-10-17(15)28-4-2/h5-12H,3-4H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/p-1/b21-12-
InChIKeyALRDXIFCXQVDQI-MTJSOVHGSA-M
XLogP1.10
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 8898253
4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 8898189
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989610
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 4319718
N'-[(E)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 19658408
N-(2-ethylphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554301
N-(2-ethylphenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898860
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N'-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94833552
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126266532
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 8990204

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate (CID 8898414) is 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate is CCOc1ccc(C(=O)[O-])cc1/C=N\NC(=O)C(=O)Nc1ccccc1CC.
What is the InChIKey of 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is ALRDXIFCXQVDQI-MTJSOVHGSA-M. The full InChI is InChI=1S/C20H21N3O5/c1-3-13-7-5-6-8-16(13)22-18(24)19(25)23-21-12-15-11-14(20(26)27)9-10-17(15)28-4-2/h5-12H,3-4H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/p-1/b21-12-.
What are the key properties of 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 382.40 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8898414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).