2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione

C16H20N2O2 — CID 165353119

IUPAC2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCN1CCC2(CC1)C(=O)N(C)C(=O)C2c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-17-10-8-16(9-11-17)13(12-6-4-3-5-7-12)14(19)18(2)15(16)20/h3-7,13H,8-11H2,1-2H3
InChIKeyYTEMQBMURRVXST-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds1

About 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione

2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 165353119) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID165353119
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCN1CCC2(CC1)C(=O)N(C)C(=O)C2c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-17-10-8-16(9-11-17)13(12-6-4-3-5-7-12)14(19)18(2)15(16)20/h3-7,13H,8-11H2,1-2H3
InChIKeyYTEMQBMURRVXST-UHFFFAOYSA-N
XLogP1.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
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 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione (CID 165353119) is 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione is CN1CCC2(CC1)C(=O)N(C)C(=O)C2c1ccccc1.
What is the InChIKey of 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is YTEMQBMURRVXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-10-8-16(9-11-17)13(12-6-4-3-5-7-12)14(19)18(2)15(16)20/h3-7,13H,8-11H2,1-2H3.
What are the key properties of 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione?
2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 272.35 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 165353119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).