ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate

C20H22N2O4 — CID 11537674

IUPACethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate
SMILESCCOC(=O)C(NNC(=O)c1ccccc1)C(C)C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-26-20(25)17(14(2)18(23)15-10-6-4-7-11-15)21-22-19(24)16-12-8-5-9-13-16/h4-14,17,21H,3H2,1-2H3,(H,22,24)
InChIKeyBRWSPJLMDDVHEP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.37
Rot. Bonds8

About ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate

ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate (PubChem CID 11537674) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate
PubChem CID11537674
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate
SMILESCCOC(=O)C(NNC(=O)c1ccccc1)C(C)C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-26-20(25)17(14(2)18(23)15-10-6-4-7-11-15)21-22-19(24)16-12-8-5-9-13-16/h4-14,17,21H,3H2,1-2H3,(H,22,24)
InChIKeyBRWSPJLMDDVHEP-UHFFFAOYSA-N
XLogP2.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.37
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

[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
CID 2416248
Methyl 2-(2-benzoylhydrazinyl)-3-(4-fluorophenyl)-3-oxopropanoate
CID 44233358
Ethyl 2-(2-benzoylhydrazinyl)pent-4-enoate
CID 10659149
ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate
CID 11184582
(2R, 3S)-ethyl 2-(N'-benzoylhydrazino)-3-methyl-4-pentenoate
CID 11242860
methyl (2S)-2-(2-benzoylhydrazinyl)-2-phenylacetate
CID 11832952
ethyl (2S)-2-(2-benzoylhydrazinyl)propanoate
CID 14923147
Ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate
CID 19432099
ethyl (2S,3R)-1-benzamido-4-oxo-3-phenylpiperidine-2-carboxylate
CID 102590638
Methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate
CID 10783357
Ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate
CID 11630294
ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate
CID 11739310

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate?
The IUPAC name of ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate (CID 11537674) is ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate.
What is the SMILES notation for ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate?
The canonical SMILES for ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate is CCOC(=O)C(NNC(=O)c1ccccc1)C(C)C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate?
The InChIKey is BRWSPJLMDDVHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-26-20(25)17(14(2)18(23)15-10-6-4-7-11-15)21-22-19(24)16-12-8-5-9-13-16/h4-14,17,21H,3H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate?
ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate has a molecular weight of 354.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzoylhydrazinyl)-3-methyl-4-oxo-4-phenylbutanoate is sourced from PubChem (CID 11537674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).