2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate

C20H20N3O6- — CID 8989584

IUPAC2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)[O-])cc1
InChIInChI=1S/C20H21N3O6/c1-2-11-28-16-9-7-15(8-10-16)22-19(26)20(27)23-21-12-14-5-3-4-6-17(14)29-13-18(24)25/h3-10,12H,2,11,13H2,1H3,(H,22,26)(H,23,27)(H,24,25)/p-1/b21-12-
InChIKeyQRINNTTYNZDMAD-MTJSOVHGSA-M
MW398.40 g/mol
LogP0.69
Rot. Bonds9

About 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate

2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 8989584) has the molecular formula C20H20N3O6- and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID8989584
Molecular FormulaC20H20N3O6-
Molecular Weight398.40 g/mol
Exact Mass398.14
IUPAC Name2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)[O-])cc1
InChIInChI=1S/C20H21N3O6/c1-2-11-28-16-9-7-15(8-10-16)22-19(26)20(27)23-21-12-14-5-3-4-6-17(14)29-13-18(24)25/h3-10,12H,2,11,13H2,1H3,(H,22,26)(H,23,27)(H,24,25)/p-1/b21-12-
InChIKeyQRINNTTYNZDMAD-MTJSOVHGSA-M
XLogP0.69
TPSA129.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 50.69
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-oxo-2-(4-propoxyanilino)acetyl]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

2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989560
N'-[(Z)-[2-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126175339
N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126263932
N-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796
N'-[(Z)-[2-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126266096
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989610
N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 8898963
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126265492
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988802
N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988803
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 8989584) is 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate is CCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)[O-])cc1.
What is the InChIKey of 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is QRINNTTYNZDMAD-MTJSOVHGSA-M. The full InChI is InChI=1S/C20H21N3O6/c1-2-11-28-16-9-7-15(8-10-16)22-19(26)20(27)23-21-12-14-5-3-4-6-17(14)29-13-18(24)25/h3-10,12H,2,11,13H2,1H3,(H,22,26)(H,23,27)(H,24,25)/p-1/b21-12-.
What are the key properties of 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 398.40 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 8989584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).