4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide

C25H22N2O5 — CID 3104383

IUPAC4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide
SMILESCc1ccc(C(O)=CC(=O)C(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c1-17-12-14-18(15-13-17)21(28)16-22(29)23(30)26-27-24(31)25(32,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,28,32H,1H3,(H,26,30)(H,27,31)
InChIKeyRPDAOEHUXKYDJG-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.55
Rot. Bonds6

About 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide

4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide (PubChem CID 3104383) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide
PubChem CID3104383
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide
SMILESCc1ccc(C(O)=CC(=O)C(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22N2O5/c1-17-12-14-18(15-13-17)21(28)16-22(29)23(30)26-27-24(31)25(32,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,28,32H,1H3,(H,26,30)(H,27,31)
InChIKeyRPDAOEHUXKYDJG-UHFFFAOYSA-N
XLogP2.55
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide?
The IUPAC name of 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide (CID 3104383) is 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide.
What is the SMILES notation for 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide?
The canonical SMILES for 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide is Cc1ccc(C(O)=CC(=O)C(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide?
The InChIKey is RPDAOEHUXKYDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-17-12-14-18(15-13-17)21(28)16-22(29)23(30)26-27-24(31)25(32,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,28,32H,1H3,(H,26,30)(H,27,31).
What are the key properties of 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide?
4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide has a molecular weight of 430.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-4-(4-methylphenyl)-2-oxobut-3-enehydrazide is sourced from PubChem (CID 3104383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).