4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione

C23H30N2O3 — CID 127052274

IUPAC4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione
SMILESCc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCCC3)cc1
InChIInChI=1S/C23H30N2O3/c1-17-10-12-18(13-11-17)21(27)24-16-20(26)25(19-8-4-2-5-9-19)22(28)23(24)14-6-3-7-15-23/h10-13,19H,2-9,14-16H2,1H3
InChIKeyQVHSKMHZXNZQNN-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.84
Rot. Bonds2

About 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione

4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione (PubChem CID 127052274) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione.

Molecular Properties

Compound Name4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione
PubChem CID127052274
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione
SMILESCc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCCC3)cc1
InChIInChI=1S/C23H30N2O3/c1-17-10-12-18(13-11-17)21(27)24-16-20(26)25(19-8-4-2-5-9-19)22(28)23(24)14-6-3-7-15-23/h10-13,19H,2-9,14-16H2,1H3
InChIKeyQVHSKMHZXNZQNN-UHFFFAOYSA-N
XLogP3.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.84
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 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione?
The IUPAC name of 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione (CID 127052274) is 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione.
What is the SMILES notation for 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione?
The canonical SMILES for 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione is Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCCC3)cc1.
What is the InChIKey of 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione?
The InChIKey is QVHSKMHZXNZQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-10-12-18(13-11-17)21(27)24-16-20(26)25(19-8-4-2-5-9-19)22(28)23(24)14-6-3-7-15-23/h10-13,19H,2-9,14-16H2,1H3.
What are the key properties of 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione?
4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione has a molecular weight of 382.50 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione is sourced from PubChem (CID 127052274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).