2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione

C16H27NO3 — CID 106145904

IUPAC2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCC(C)(CCO)CN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C16H27NO3/c1-15(2,9-10-18)12-17-13(19)11-16(14(17)20)7-5-3-4-6-8-16/h18H,3-12H2,1-2H3
InChIKeyMJWRTDAQMDBJBD-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.49
Rot. Bonds4

About 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione

2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 106145904) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID106145904
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCC(C)(CCO)CN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C16H27NO3/c1-15(2,9-10-18)12-17-13(19)11-16(14(17)20)7-5-3-4-6-8-16/h18H,3-12H2,1-2H3
InChIKeyMJWRTDAQMDBJBD-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 63239102
2-(2-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 113282808
2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 106246315
2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107849640
3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
CID 103936481
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107155565
2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
CID 64539399
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
CID 61127702
2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
CID 65221711
2-(3-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 62667991
2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione
CID 107849819

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione (CID 106145904) is 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione is CC(C)(CCO)CN1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is MJWRTDAQMDBJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-15(2,9-10-18)12-17-13(19)11-16(14(17)20)7-5-3-4-6-8-16/h18H,3-12H2,1-2H3.
What are the key properties of 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione?
2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 281.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2-dimethylbutyl)-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 106145904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).