4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate

C20H20N3O5- — CID 8898189

IUPAC4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate
SMILESCCOc1ccc(C(=O)[O-])cc1/C=N\NC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H21N3O5/c1-2-28-17-9-8-15(20(26)27)12-16(17)13-22-23-19(25)18(24)21-11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,24)(H,23,25)(H,26,27)/p-1/b22-13-
InChIKeyODTGZHBLFLDSBV-XKZIYDEJSA-M
MW382.40 g/mol
LogP0.26
Rot. Bonds8

About 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate

4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 8898189) has the molecular formula C20H20N3O5- and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID8898189
Molecular FormulaC20H20N3O5-
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate
SMILESCCOc1ccc(C(=O)[O-])cc1/C=N\NC(=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H21N3O5/c1-2-28-17-9-8-15(20(26)27)12-16(17)13-22-23-19(25)18(24)21-11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,24)(H,23,25)(H,26,27)/p-1/b22-13-
InChIKeyODTGZHBLFLDSBV-XKZIYDEJSA-M
XLogP0.26
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 50.26
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'}

Analyze 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 8898253
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8931387
4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 8898254
4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8898414
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116
N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
CID 133240925
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988782
N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 2248791
N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126176448
N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6260731
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 2250985

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate (CID 8898189) is 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate is CCOc1ccc(C(=O)[O-])cc1/C=N\NC(=O)C(=O)NCCc1ccccc1.
What is the InChIKey of 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is ODTGZHBLFLDSBV-XKZIYDEJSA-M. The full InChI is InChI=1S/C20H21N3O5/c1-2-28-17-9-8-15(20(26)27)12-16(17)13-22-23-19(25)18(24)21-11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,24)(H,23,25)(H,26,27)/p-1/b22-13-.
What are the key properties of 4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate?
4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 382.40 g/mol, XLogP of 0.26, 8 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-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8898189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).