[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate

C17H16N2O4 — CID 2506262

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O4/c1-12-7-9-14(10-8-12)17(22)23-11-15(20)18-19-16(21)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRRKTLMDYSAMPU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.61
Rot. Bonds4

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate (PubChem CID 2506262) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
PubChem CID2506262
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O4/c1-12-7-9-14(10-8-12)17(22)23-11-15(20)18-19-16(21)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRRKTLMDYSAMPU-UHFFFAOYSA-N
XLogP1.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472786
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646896
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 27703777
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903294
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168537
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
CID 7971711
(2-benzamido-2-oxoethyl) 4-(methoxymethyl)benzoate
CID 7488796
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545780

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate (CID 2506262) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate?
The InChIKey is FRRKTLMDYSAMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-12-7-9-14(10-8-12)17(22)23-11-15(20)18-19-16(21)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate has a molecular weight of 312.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate is sourced from PubChem (CID 2506262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).