diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate

C16H20N2O6 — CID 3619400

IUPACdiethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate
SMILESCCOC(=O)C(=NNC(=O)c1ccccc1O)C(C)C(=O)OCC
InChIInChI=1S/C16H20N2O6/c1-4-23-15(21)10(3)13(16(22)24-5-2)17-18-14(20)11-8-6-7-9-12(11)19/h6-10,19H,4-5H2,1-3H3,(H,18,20)
InChIKeyLFQNRWGBKWHQAF-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.24
Rot. Bonds7

About diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate

diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate (PubChem CID 3619400) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate.

Molecular Properties

Compound Namediethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate
PubChem CID3619400
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Namediethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate
SMILESCCOC(=O)C(=NNC(=O)c1ccccc1O)C(C)C(=O)OCC
InChIInChI=1S/C16H20N2O6/c1-4-23-15(21)10(3)13(16(22)24-5-2)17-18-14(20)11-8-6-7-9-12(11)19/h6-10,19H,4-5H2,1-3H3,(H,18,20)
InChIKeyLFQNRWGBKWHQAF-UHFFFAOYSA-N
XLogP1.24
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(2-hydroxybenzoyl)carbamate
CID 175348381
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9077909
ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
CID 174974451
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
methyl (2E)-3-cyano-2-[(2-hydroxybenzoyl)hydrazinylidene]-3-phenylpropanoate
CID 5388357
dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate
CID 43834949
N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 2305451
N-[(E)-[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 6898837
2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide
CID 139074101
diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate
CID 174947834
2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
CID 142204388

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate?
The IUPAC name of diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate (CID 3619400) is diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate.
What is the SMILES notation for diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate?
The canonical SMILES for diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate is CCOC(=O)C(=NNC(=O)c1ccccc1O)C(C)C(=O)OCC.
What is the InChIKey of diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate?
The InChIKey is LFQNRWGBKWHQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-4-23-15(21)10(3)13(16(22)24-5-2)17-18-14(20)11-8-6-7-9-12(11)19/h6-10,19H,4-5H2,1-3H3,(H,18,20).
What are the key properties of diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate?
diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate has a molecular weight of 336.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate is sourced from PubChem (CID 3619400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).