2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid

C19H19N3O6 — CID 8897566

IUPAC2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2OC)cc1C(=O)O
InChIInChI=1S/C19H19N3O6/c1-3-28-15-9-8-12(10-13(15)19(25)26)11-20-22-18(24)17(23)21-14-6-4-5-7-16(14)27-2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/b20-11-
InChIKeyBJWOGWPCYYKQNM-JAIQZWGSSA-N
MW385.38 g/mol
LogP1.88
Rot. Bonds7

About 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid

2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 8897566) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID8897566
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2OC)cc1C(=O)O
InChIInChI=1S/C19H19N3O6/c1-3-28-15-9-8-12(10-13(15)19(25)26)11-20-22-18(24)17(23)21-14-6-4-5-7-16(14)27-2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/b20-11-
InChIKeyBJWOGWPCYYKQNM-JAIQZWGSSA-N
XLogP1.88
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.88
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'}

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Related Compounds

2-ethoxy-5-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897777
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 8931569
N-(2-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554201
2-ethoxy-5-[(Z)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897787
5-[(Z)-[[2-(3,4-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxybenzoic acid
CID 8897558
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
[2-ethoxy-4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4984769
N'-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 8932339
4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 2248354
N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 137059421
N'-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94833552
N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334344

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid (CID 8897566) is 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid is CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2OC)cc1C(=O)O.
What is the InChIKey of 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is BJWOGWPCYYKQNM-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-3-28-15-9-8-12(10-13(15)19(25)26)11-20-22-18(24)17(23)21-14-6-4-5-7-16(14)27-2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/b20-11-.
What are the key properties of 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid?
2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 385.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 8897566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).