ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate

C14H20N2O3 — CID 19432099

IUPACethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate
SMILESCCOC(=O)C(NNC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)12(10(2)3)15-16-13(17)11-8-6-5-7-9-11/h5-10,12,15H,4H2,1-3H3,(H,16,17)
InChIKeyQWXUNYUVDDCFAA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.51
Rot. Bonds6

About ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate

ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate (PubChem CID 19432099) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate
PubChem CID19432099
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate
SMILESCCOC(=O)C(NNC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)12(10(2)3)15-16-13(17)11-8-6-5-7-9-11/h5-10,12,15H,4H2,1-3H3,(H,16,17)
InChIKeyQWXUNYUVDDCFAA-UHFFFAOYSA-N
XLogP1.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate?
The IUPAC name of ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate (CID 19432099) is ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate is CCOC(=O)C(NNC(=O)c1ccccc1)C(C)C.
What is the InChIKey of ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate?
The InChIKey is QWXUNYUVDDCFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-14(18)12(10(2)3)15-16-13(17)11-8-6-5-7-9-11/h5-10,12,15H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate?
ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate has a molecular weight of 264.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzoylhydrazinyl)-3-methylbutanoate is sourced from PubChem (CID 19432099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).