ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate

C18H20N2O3 — CID 19432093

IUPACethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
SMILESCCOC(=O)c1ccc(C(C)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)16-11-9-14(10-12-16)13(2)19-20-17(21)15-7-5-4-6-8-15/h4-13,19H,3H2,1-2H3,(H,20,21)
InChIKeyJVTKBEWYVKDWHF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.86
Rot. Bonds6

About ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate

ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate (PubChem CID 19432093) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
PubChem CID19432093
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
SMILESCCOC(=O)c1ccc(C(C)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)16-11-9-14(10-12-16)13(2)19-20-17(21)15-7-5-4-6-8-15/h4-13,19H,3H2,1-2H3,(H,20,21)
InChIKeyJVTKBEWYVKDWHF-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.86
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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate?
The IUPAC name of ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate (CID 19432093) is ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate.
What is the SMILES notation for ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate?
The canonical SMILES for ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate is CCOC(=O)c1ccc(C(C)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate?
The InChIKey is JVTKBEWYVKDWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-18(22)16-11-9-14(10-12-16)13(2)19-20-17(21)15-7-5-4-6-8-15/h4-13,19H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate?
ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate has a molecular weight of 312.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate is sourced from PubChem (CID 19432093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).