6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

C25H44N2O3 — CID 154659640

IUPAC6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCCCCCCCCCCCCCC(=O)N1C(=O)C(C)NC(=O)C12CCCC2
InChIInChI=1S/C25H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(28)27-23(29)21(2)26-24(30)25(27)19-16-17-20-25/h21H,3-20H2,1-2H3,(H,26,30)
InChIKeyLVHMYEDFLUCWTN-UHFFFAOYSA-N
MW420.64 g/mol
LogP5.65
Rot. Bonds14

About 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 154659640) has the molecular formula C25H44N2O3 and a molecular weight of 420.64 g/mol. Its IUPAC name is 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID154659640
Molecular FormulaC25H44N2O3
Molecular Weight420.64 g/mol
Exact Mass420.34
IUPAC Name6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCCCCCCCCCCCCCC(=O)N1C(=O)C(C)NC(=O)C12CCCC2
InChIInChI=1S/C25H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(28)27-23(29)21(2)26-24(30)25(27)19-16-17-20-25/h21H,3-20H2,1-2H3,(H,26,30)
InChIKeyLVHMYEDFLUCWTN-UHFFFAOYSA-N
XLogP5.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875303
1-decanoyl-3-methylpyrrolidin-2-one
CID 19035137
1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107898199
3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872741
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995995
1-docosanoylpyrrolidine-2,5-dione
CID 149150583
1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one
CID 174408643
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
CID 80707384
1-(2,2-dimethylcyclopentyl)heptan-1-one
CID 107186757
hexadecanoic acid;2,2,6,6-tetramethylpiperidine
CID 175009118

Frequently Asked Questions

What is the IUPAC name of 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 154659640) is 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione is CCCCCCCCCCCCCCCC(=O)N1C(=O)C(C)NC(=O)C12CCCC2.
What is the InChIKey of 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is LVHMYEDFLUCWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(28)27-23(29)21(2)26-24(30)25(27)19-16-17-20-25/h21H,3-20H2,1-2H3,(H,26,30).
What are the key properties of 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 420.64 g/mol, XLogP of 5.65, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexadecanoyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 154659640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).