3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C13H22N2O3 — CID 86804220

IUPAC3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)CCN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-12(2,3)4-7-15-10(16)13(14-11(15)17)5-8-18-9-6-13/h4-9H2,1-3H3,(H,14,17)
InChIKeyDIWLWHJWPFRRPT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.52
Rot. Bonds2

About 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 86804220) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID86804220
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)CCN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-12(2,3)4-7-15-10(16)13(14-11(15)17)5-8-18-9-6-13/h4-9H2,1-3H3,(H,14,17)
InChIKeyDIWLWHJWPFRRPT-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 86804220) is 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is CC(C)(C)CCN1C(=O)NC2(CCOCC2)C1=O.
What is the InChIKey of 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DIWLWHJWPFRRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(2,3)4-7-15-10(16)13(14-11(15)17)5-8-18-9-6-13/h4-9H2,1-3H3,(H,14,17).
What are the key properties of 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 86804220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).