4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid

C18H16N2O5 — CID 154425317

IUPAC4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NN(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O5/c21-15(11-12-16(22)23)19-20(17(24)13-7-3-1-4-8-13)18(25)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21)(H,22,23)
InChIKeyAYPBXKQBEUYRIV-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.87
Rot. Bonds5

About 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid

4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid (PubChem CID 154425317) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid
PubChem CID154425317
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NN(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O5/c21-15(11-12-16(22)23)19-20(17(24)13-7-3-1-4-8-13)18(25)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21)(H,22,23)
InChIKeyAYPBXKQBEUYRIV-UHFFFAOYSA-N
XLogP1.87
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-N',10-N'-dibenzoyldecanedihydrazide
CID 175365921
10-[2,2-bis(2-hydroxybenzoyl)hydrazinyl]-10-oxodecanoic acid
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1-N,1-N',3-N,3-N'-tetrabenzoylpropanedihydrazide
CID 175312357
N'-butanoyl-N-methylbenzohydrazide
CID 151710064
1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide
CID 175112992
4-(2-benzhydrylidenehydrazinyl)-4-oxobutanoic acid
CID 2063521
benzoyl-(bromoamino)carbamic acid
CID 126754569
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
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CID 2834574

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid?
The IUPAC name of 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid (CID 154425317) is 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid?
The canonical SMILES for 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid is O=C(O)CCC(=O)NN(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid?
The InChIKey is AYPBXKQBEUYRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-15(11-12-16(22)23)19-20(17(24)13-7-3-1-4-8-13)18(25)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21)(H,22,23).
What are the key properties of 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid?
4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid has a molecular weight of 340.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid is sourced from PubChem (CID 154425317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).