1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H26N2O3 — CID 103016990

IUPAC1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCOC(C)(C)CCN1C(=O)CNC(=O)C12CCCCC2
InChIInChI=1S/C15H26N2O3/c1-14(2,20-3)9-10-17-12(18)11-16-13(19)15(17)7-5-4-6-8-15/h4-11H2,1-3H3,(H,16,19)
InChIKeyVGERHDGOJFQFIX-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 103016990) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID103016990
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCOC(C)(C)CCN1C(=O)CNC(=O)C12CCCCC2
InChIInChI=1S/C15H26N2O3/c1-14(2,20-3)9-10-17-12(18)11-16-13(19)15(17)7-5-4-6-8-15/h4-11H2,1-3H3,(H,16,19)
InChIKeyVGERHDGOJFQFIX-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 103016990) is 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is COC(C)(C)CCN1C(=O)CNC(=O)C12CCCCC2.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is VGERHDGOJFQFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,20-3)9-10-17-12(18)11-16-13(19)15(17)7-5-4-6-8-15/h4-11H2,1-3H3,(H,16,19).
What are the key properties of 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 103016990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).