8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione

C17H17NO4 — CID 73294383

IUPAC8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione
SMILESCOC1=CC(=O)C=CC12N(C)C(=O)C(C)C21C=CC(=O)C=C1
InChIInChI=1S/C17H17NO4/c1-11-15(21)18(2)17(9-6-13(20)10-14(17)22-3)16(11)7-4-12(19)5-8-16/h4-11H,1-3H3
InChIKeyDVHXNAWTULVVEQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.18
Rot. Bonds1

About 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione

8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione (PubChem CID 73294383) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione.

Molecular Properties

Compound Name8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione
PubChem CID73294383
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione
SMILESCOC1=CC(=O)C=CC12N(C)C(=O)C(C)C21C=CC(=O)C=C1
InChIInChI=1S/C17H17NO4/c1-11-15(21)18(2)17(9-6-13(20)10-14(17)22-3)16(11)7-4-12(19)5-8-16/h4-11H,1-3H3
InChIKeyDVHXNAWTULVVEQ-UHFFFAOYSA-N
XLogP1.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione?
The IUPAC name of 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione (CID 73294383) is 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione.
What is the SMILES notation for 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione?
The canonical SMILES for 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione is COC1=CC(=O)C=CC12N(C)C(=O)C(C)C21C=CC(=O)C=C1.
What is the InChIKey of 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione?
The InChIKey is DVHXNAWTULVVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-15(21)18(2)17(9-6-13(20)10-14(17)22-3)16(11)7-4-12(19)5-8-16/h4-11H,1-3H3.
What are the key properties of 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione?
8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione has a molecular weight of 299.33 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-13,15-dimethyl-13-azadispiro[5.0.57.36]pentadeca-1,4,8,11-tetraene-3,10,14-trione is sourced from PubChem (CID 73294383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).