[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate

C18H18N2O4 — CID 2416248

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c21-16(19-20-18(23)15-9-5-2-6-10-15)13-24-17(22)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,21)(H,20,23)
InChIKeyKTTHXKBIZYJIHS-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.62
Rot. Bonds6

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate (PubChem CID 2416248) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
PubChem CID2416248
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
SMILESO=C(COC(=O)CCc1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c21-16(19-20-18(23)15-9-5-2-6-10-15)13-24-17(22)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,21)(H,20,23)
InChIKeyKTTHXKBIZYJIHS-UHFFFAOYSA-N
XLogP1.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.62
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-Benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2429985
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate
CID 2640551
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] adamantane-1-carboxylate
CID 5217940
[2-[2-(4-Chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796275
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8492845
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2413640
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 3-bromoadamantane-1-carboxylate
CID 4856014
[2-[2-(2-Fluorobenzoyl)hydrazinyl]-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 16272896
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251297
[2-[2-(2-Fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587286
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 16280479
[2-[2-(4-Chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 16288877

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate (CID 2416248) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate is O=C(COC(=O)CCc1ccccc1)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is KTTHXKBIZYJIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-16(19-20-18(23)15-9-5-2-6-10-15)13-24-17(22)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,21)(H,20,23).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 326.35 g/mol, XLogP of 1.62, 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] 3-phenylpropanoate is sourced from PubChem (CID 2416248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).