3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide

C12H14N2O4 — CID 59961338

IUPAC3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide
SMILESCCC(=O)NNC(=O)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O4/c1-2-11(17)13-14-12(18)7-10(16)8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3,(H,13,17)(H,14,18)
InChIKeyAPJLVXXRLNBESS-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.52
Rot. Bonds4

About 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide

3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide (PubChem CID 59961338) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide
PubChem CID59961338
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide
SMILESCCC(=O)NNC(=O)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O4/c1-2-11(17)13-14-12(18)7-10(16)8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3,(H,13,17)(H,14,18)
InChIKeyAPJLVXXRLNBESS-UHFFFAOYSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(4-hydroxyphenyl)propan-1-one
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1-(4-tert-butyl-2-hydroxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 139685482
sodium 2-bromo-1-(4-hydroxyphenyl)ethanone
CID 22027058
2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
4-aminooxy-1-(4-hydroxyphenyl)butane-1,3-dione
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ethane;N-ethyl-4-hydroxybenzamide
CID 144926309

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide?
The IUPAC name of 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide (CID 59961338) is 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide is CCC(=O)NNC(=O)CC(=O)c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide?
The InChIKey is APJLVXXRLNBESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-11(17)13-14-12(18)7-10(16)8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3,(H,13,17)(H,14,18).
What are the key properties of 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide?
3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide has a molecular weight of 250.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-oxo-N'-propanoylpropanehydrazide is sourced from PubChem (CID 59961338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).