ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate

C19H20N2O4 — CID 11739310

IUPACethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate
SMILESCCOC(=O)[C@@H](CC(=O)c1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-2-25-19(24)16(13-17(22)14-9-5-3-6-10-14)20-21-18(23)15-11-7-4-8-12-15/h3-12,16,20H,2,13H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyZWFFDIUSNUNUFT-MRXNPFEDSA-N
MW340.38 g/mol
LogP2.13
Rot. Bonds8

About ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate

ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate (PubChem CID 11739310) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate
PubChem CID11739310
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate
SMILESCCOC(=O)[C@@H](CC(=O)c1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-2-25-19(24)16(13-17(22)14-9-5-3-6-10-14)20-21-18(23)15-11-7-4-8-12-15/h3-12,16,20H,2,13H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyZWFFDIUSNUNUFT-MRXNPFEDSA-N
XLogP2.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate 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 (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate?
The IUPAC name of ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate (CID 11739310) is ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate.
What is the SMILES notation for ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate?
The canonical SMILES for ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate is CCOC(=O)[C@@H](CC(=O)c1ccccc1)NNC(=O)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate?
The InChIKey is ZWFFDIUSNUNUFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-25-19(24)16(13-17(22)14-9-5-3-6-10-14)20-21-18(23)15-11-7-4-8-12-15/h3-12,16,20H,2,13H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate?
ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate has a molecular weight of 340.38 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-benzoylhydrazinyl)-4-oxo-4-phenylbutanoate is sourced from PubChem (CID 11739310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).