9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione

C22H28N2O3 — CID 127049853

IUPAC9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione
SMILESCc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCC3)cc1
InChIInChI=1S/C22H28N2O3/c1-16-9-11-17(12-10-16)20(26)23-15-19(25)24(18-7-3-2-4-8-18)21(27)22(23)13-5-6-14-22/h9-12,18H,2-8,13-15H2,1H3
InChIKeyINUJDJRLWWWXII-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.45
Rot. Bonds2

About 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione

9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione (PubChem CID 127049853) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione.

Molecular Properties

Compound Name9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione
PubChem CID127049853
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione
SMILESCc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCC3)cc1
InChIInChI=1S/C22H28N2O3/c1-16-9-11-17(12-10-16)20(26)23-15-19(25)24(18-7-3-2-4-8-18)21(27)22(23)13-5-6-14-22/h9-12,18H,2-8,13-15H2,1H3
InChIKeyINUJDJRLWWWXII-UHFFFAOYSA-N
XLogP3.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione?
The IUPAC name of 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione (CID 127049853) is 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione.
What is the SMILES notation for 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione?
The canonical SMILES for 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione is Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCC3)cc1.
What is the InChIKey of 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione?
The InChIKey is INUJDJRLWWWXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-9-11-17(12-10-16)20(26)23-15-19(25)24(18-7-3-2-4-8-18)21(27)22(23)13-5-6-14-22/h9-12,18H,2-8,13-15H2,1H3.
What are the key properties of 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione?
9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione has a molecular weight of 368.48 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione is sourced from PubChem (CID 127049853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).