3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

C22H19NO3 — CID 135365170

IUPAC3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESO=C1C=CC2(C=C1)OCC(Cc1ccccc1)C(=O)N2c1ccccc1
InChIInChI=1S/C22H19NO3/c24-20-11-13-22(14-12-20)23(19-9-5-2-6-10-19)21(25)18(16-26-22)15-17-7-3-1-4-8-17/h1-14,18H,15-16H2
InChIKeyXQTVUMKCRDFERJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.30
Rot. Bonds3

About 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (PubChem CID 135365170) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.

Molecular Properties

Compound Name3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
PubChem CID135365170
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESO=C1C=CC2(C=C1)OCC(Cc1ccccc1)C(=O)N2c1ccccc1
InChIInChI=1S/C22H19NO3/c24-20-11-13-22(14-12-20)23(19-9-5-2-6-10-19)21(25)18(16-26-22)15-17-7-3-1-4-8-17/h1-14,18H,15-16H2
InChIKeyXQTVUMKCRDFERJ-UHFFFAOYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The IUPAC name of 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (CID 135365170) is 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.
What is the SMILES notation for 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The canonical SMILES for 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is O=C1C=CC2(C=C1)OCC(Cc1ccccc1)C(=O)N2c1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The InChIKey is XQTVUMKCRDFERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-20-11-13-22(14-12-20)23(19-9-5-2-6-10-19)21(25)18(16-26-22)15-17-7-3-1-4-8-17/h1-14,18H,15-16H2.
What are the key properties of 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione has a molecular weight of 345.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is sourced from PubChem (CID 135365170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).