ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate

C12H16N2O4 — CID 619853

IUPACethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNc1ccc(OCC)cc1
InChIInChI=1S/C12H16N2O4/c1-3-17-10-7-5-9(6-8-10)13-14-11(15)12(16)18-4-2/h5-8,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyRPIOIKUCMUKEBI-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.09
Rot. Bonds5

About ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate

ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate (PubChem CID 619853) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate
PubChem CID619853
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNc1ccc(OCC)cc1
InChIInChI=1S/C12H16N2O4/c1-3-17-10-7-5-9(6-8-10)13-14-11(15)12(16)18-4-2/h5-8,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyRPIOIKUCMUKEBI-UHFFFAOYSA-N
XLogP1.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
1-N',2-N'-bis(4-propoxyphenyl)ethanedihydrazide
CID 138619746
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
(4-ethoxyanilino) acetate
CID 71333792
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
2,6-dichloro-N'-(4-ethoxyphenyl)benzohydrazide
CID 127031364
ethyl (Z)-2-cyano-3-(4-ethoxyanilino)prop-2-enoate
CID 23722954
ethyl (2E)-2-cyano-2-[(4-ethoxyphenyl)hydrazinylidene]acetate
CID 5406081
diethyl 2-[(4-ethoxyanilino)methyl]propanedioate
CID 10244822
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate (CID 619853) is ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)NNc1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate?
The InChIKey is RPIOIKUCMUKEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-17-10-7-5-9(6-8-10)13-14-11(15)12(16)18-4-2/h5-8,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate?
ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate has a molecular weight of 252.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-ethoxyphenyl)hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 619853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).