11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione

C18H23NO2 — CID 79431545

IUPAC11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCc1ccc(C2C(=O)NC(=O)CC23CCCCC3C)cc1
InChIInChI=1S/C18H23NO2/c1-12-6-8-14(9-7-12)16-17(21)19-15(20)11-18(16)10-4-3-5-13(18)2/h6-9,13,16H,3-5,10-11H2,1-2H3,(H,19,20,21)
InChIKeyBYXZGOOJQCIJBI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.32
Rot. Bonds1

About 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione

11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 79431545) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID79431545
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCc1ccc(C2C(=O)NC(=O)CC23CCCCC3C)cc1
InChIInChI=1S/C18H23NO2/c1-12-6-8-14(9-7-12)16-17(21)19-15(20)11-18(16)10-4-3-5-13(18)2/h6-9,13,16H,3-5,10-11H2,1-2H3,(H,19,20,21)
InChIKeyBYXZGOOJQCIJBI-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 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 79431545) is 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione is Cc1ccc(C2C(=O)NC(=O)CC23CCCCC3C)cc1.
What is the InChIKey of 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is BYXZGOOJQCIJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-6-8-14(9-7-12)16-17(21)19-15(20)11-18(16)10-4-3-5-13(18)2/h6-9,13,16H,3-5,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione?
11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-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 11-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 79431545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).