4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid

C21H23N3O6 — CID 8898347

IUPAC4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCCCOc1ccc(NC(=O)C(=O)N/N=C\c2cc(C(=O)O)ccc2OCC)cc1
InChIInChI=1S/C21H23N3O6/c1-3-11-30-17-8-6-16(7-9-17)23-19(25)20(26)24-22-13-15-12-14(21(27)28)5-10-18(15)29-4-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/b22-13-
InChIKeyHQFZZDJSNKJOGI-XKZIYDEJSA-N
MW413.43 g/mol
LogP2.66
Rot. Bonds9

About 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid

4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 8898347) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID8898347
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC Name4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCCCOc1ccc(NC(=O)C(=O)N/N=C\c2cc(C(=O)O)ccc2OCC)cc1
InChIInChI=1S/C21H23N3O6/c1-3-11-30-17-8-6-16(7-9-17)23-19(25)20(26)24-22-13-15-12-14(21(27)28)5-10-18(15)29-4-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/b22-13-
InChIKeyHQFZZDJSNKJOGI-XKZIYDEJSA-N
XLogP2.66
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
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-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid 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]benzoic acid
CID 8898254
N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061179
N'-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8988867
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8989100
N'-[(Z)-[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126181039
2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989584
N-(4-butoxyphenyl)-N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]oxamide
CID 8931666
N'-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4092508
4-[3-[(Z)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 133240804
N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6266636
[4-[[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3871529

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid (CID 8898347) is 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid is CCCOc1ccc(NC(=O)C(=O)N/N=C\c2cc(C(=O)O)ccc2OCC)cc1.
What is the InChIKey of 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is HQFZZDJSNKJOGI-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-3-11-30-17-8-6-16(7-9-17)23-19(25)20(26)24-22-13-15-12-14(21(27)28)5-10-18(15)29-4-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/b22-13-.
What are the key properties of 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid?
4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 413.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 8898347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).