2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate

C19H18N3O5- — CID 8989560

IUPAC2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)[O-])cc1
InChIInChI=1S/C19H19N3O5/c1-2-13-7-9-15(10-8-13)21-18(25)19(26)22-20-11-14-5-3-4-6-16(14)27-12-17(23)24/h3-11H,2,12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/p-1/b20-11-
InChIKeyNARMSZCAZRMYPZ-JAIQZWGSSA-M
MW368.37 g/mol
LogP0.47
Rot. Bonds7

About 2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate

2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 8989560) has the molecular formula C19H18N3O5- and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID8989560
Molecular FormulaC19H18N3O5-
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)[O-])cc1
InChIInChI=1S/C19H19N3O5/c1-2-13-7-9-15(10-8-13)21-18(25)19(26)22-20-11-14-5-3-4-6-16(14)27-12-17(23)24/h3-11H,2,12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/p-1/b20-11-
InChIKeyNARMSZCAZRMYPZ-JAIQZWGSSA-M
XLogP0.47
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 50.47
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

N-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796
2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989584
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126173463
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 4695388
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989610
N-(4-ethylphenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136911866
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989556
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159508
N'-[(Z)-[2-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126266702

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 8989560) is 2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate is CCc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)[O-])cc1.
What is the InChIKey of 2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is NARMSZCAZRMYPZ-JAIQZWGSSA-M. The full InChI is InChI=1S/C19H19N3O5/c1-2-13-7-9-15(10-8-13)21-18(25)19(26)22-20-11-14-5-3-4-6-16(14)27-12-17(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-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate?
2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 368.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 8989560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).