[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C18H18N2O5 — CID 2488507

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-15-9-7-13(8-10-15)11-17(22)25-12-16(21)19-20-18(23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H,20,23)
InChIKeyJGUZOYLGIMTSFZ-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.24
Rot. Bonds6

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 2488507) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID2488507
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-15-9-7-13(8-10-15)11-17(22)25-12-16(21)19-20-18(23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H,20,23)
InChIKeyJGUZOYLGIMTSFZ-UHFFFAOYSA-N
XLogP1.24
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 774424
CID 774424
CID 3115394
CID 3115394
CID 2083285
CID 2083285
CID 3117725
CID 3117725
CID 1526486
CID 1526486
CID 695069
CID 695069
CID 795407
CID 795407
CID 1983514
CID 1983514
CID 2082175
CID 2082175
CID 2086579
CID 2086579
CID 2121868
CID 2121868
CID 2529296
CID 2529296

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 2488507) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is JGUZOYLGIMTSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-15-9-7-13(8-10-15)11-17(22)25-12-16(21)19-20-18(23)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)(H,20,23).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 342.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2488507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).