ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate

C20H22N2O6 — CID 4932618

IUPACethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O6/c1-3-26-20(25)15-6-10-17(11-7-15)28-13-19(24)22-21-18(23)12-27-16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZTMSOHWJBCVTEG-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.78
Rot. Bonds8

About ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate

ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 4932618) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID4932618
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Nameethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O6/c1-3-26-20(25)15-6-10-17(11-7-15)28-13-19(24)22-21-18(23)12-27-16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZTMSOHWJBCVTEG-UHFFFAOYSA-N
XLogP1.78
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932671
ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
ethyl 4-[2-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932710
ethyl 4-[2-(cyanomethylamino)-2-oxoethoxy]benzoate
CID 63118906
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[2-[2-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17227305
ethyl 4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]benzoate
CID 34569554
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
ethyl 4-[2-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4932656

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate (CID 4932618) is ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate is CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is ZTMSOHWJBCVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-3-26-20(25)15-6-10-17(11-7-15)28-13-19(24)22-21-18(23)12-27-16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate?
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 386.40 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 4932618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).