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

C15H20N2O4 — CID 7848039

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(2)8-9-14(19)21-10-13(18)16-17-15(20)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyMAJPRDDNTUYQBA-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.43
Rot. Bonds6

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

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate (PubChem CID 7848039) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
PubChem CID7848039
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(2)8-9-14(19)21-10-13(18)16-17-15(20)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyMAJPRDDNTUYQBA-UHFFFAOYSA-N
XLogP1.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.43
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-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848136
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2437119
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523165
2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17259765
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132531
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate
CID 7848060
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168537
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848086
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate (CID 7848039) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate is CC(C)CCC(=O)OCC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate?
The InChIKey is MAJPRDDNTUYQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(2)8-9-14(19)21-10-13(18)16-17-15(20)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate has a molecular weight of 292.33 g/mol, XLogP of 1.43, 6 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-methylpentanoate is sourced from PubChem (CID 7848039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).