2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate

C19H18N3O6- — CID 8989610

IUPAC2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccccc1OCC(=O)[O-]
InChIInChI=1S/C19H19N3O6/c1-2-27-16-10-6-4-8-14(16)21-18(25)19(26)22-20-11-13-7-3-5-9-15(13)28-12-17(23)24/h3-11H,2,12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/p-1/b20-11-
InChIKeyKSZPJPMEFNHKSH-JAIQZWGSSA-M
MW384.37 g/mol
LogP0.30
Rot. Bonds8

About 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate

2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 8989610) has the molecular formula C19H18N3O6- and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID8989610
Molecular FormulaC19H18N3O6-
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccccc1OCC(=O)[O-]
InChIInChI=1S/C19H19N3O6/c1-2-27-16-10-6-4-8-14(16)21-18(25)19(26)22-20-11-13-7-3-5-9-15(13)28-12-17(23)24/h3-11H,2,12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/p-1/b20-11-
InChIKeyKSZPJPMEFNHKSH-JAIQZWGSSA-M
XLogP0.30
TPSA129.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate 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

N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N-(2-ethoxyphenyl)-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260646
2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989560
N'-[(Z)-[2-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126265613
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126276759
2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989584
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 8990204
2-[2-[(Z)-[(2-methylphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetate
CID 7933533
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699
4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8898414

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 8989610) is 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate is CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccccc1OCC(=O)[O-].
What is the InChIKey of 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is KSZPJPMEFNHKSH-JAIQZWGSSA-M. The full InChI is InChI=1S/C19H19N3O6/c1-2-27-16-10-6-4-8-14(16)21-18(25)19(26)22-20-11-13-7-3-5-9-15(13)28-12-17(23)24/h3-11H,2,12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/p-1/b20-11-.
What are the key properties of 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 384.37 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 8989610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).