7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione

C20H18N2O4 — CID 167817067

IUPAC7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C(c1ccccc1)c1ccc(CN2C(=O)NC3(CC(O)C3)C2=O)cc1
InChIInChI=1S/C20H18N2O4/c23-16-10-20(11-16)18(25)22(19(26)21-20)12-13-6-8-15(9-7-13)17(24)14-4-2-1-3-5-14/h1-9,16,23H,10-12H2,(H,21,26)
InChIKeyJXEPIFSOQNLERL-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.86
Rot. Bonds4

About 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione

7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 167817067) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID167817067
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C(c1ccccc1)c1ccc(CN2C(=O)NC3(CC(O)C3)C2=O)cc1
InChIInChI=1S/C20H18N2O4/c23-16-10-20(11-16)18(25)22(19(26)21-20)12-13-6-8-15(9-7-13)17(24)14-4-2-1-3-5-14/h1-9,16,23H,10-12H2,(H,21,26)
InChIKeyJXEPIFSOQNLERL-UHFFFAOYSA-N
XLogP1.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione (CID 167817067) is 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione is O=C(c1ccccc1)c1ccc(CN2C(=O)NC3(CC(O)C3)C2=O)cc1.
What is the InChIKey of 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is JXEPIFSOQNLERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-16-10-20(11-16)18(25)22(19(26)21-20)12-13-6-8-15(9-7-13)17(24)14-4-2-1-3-5-14/h1-9,16,23H,10-12H2,(H,21,26).
What are the key properties of 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione?
7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 350.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-benzoylphenyl)methyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 167817067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).