3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione

C18H23NO2 — CID 80699261

IUPAC3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC23CCC(C)(C)C3)c1
InChIInChI=1S/C18H23NO2/c1-12-5-4-6-13(9-12)15-16(21)19-14(20)10-18(15)8-7-17(2,3)11-18/h4-6,9,15H,7-8,10-11H2,1-3H3,(H,19,20,21)
InChIKeyBYXFSUXDRITADX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.32
Rot. Bonds1

About 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione

3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 80699261) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID80699261
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC23CCC(C)(C)C3)c1
InChIInChI=1S/C18H23NO2/c1-12-5-4-6-13(9-12)15-16(21)19-14(20)10-18(15)8-7-17(2,3)11-18/h4-6,9,15H,7-8,10-11H2,1-3H3,(H,19,20,21)
InChIKeyBYXFSUXDRITADX-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione (CID 80699261) is 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione is Cc1cccc(C2C(=O)NC(=O)CC23CCC(C)(C)C3)c1.
What is the InChIKey of 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is BYXFSUXDRITADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-5-4-6-13(9-12)15-16(21)19-14(20)10-18(15)8-7-17(2,3)11-18/h4-6,9,15H,7-8,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 285.39 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 80699261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).