3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C17H30N2O2 — CID 83145037

IUPAC3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1CC(C)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-12(16(3,4)5)11-19-13(2)14(20)18-17(15(19)21)9-7-6-8-10-17/h12-13H,6-11H2,1-5H3,(H,18,20)
InChIKeyYBZVDGDYZZHXQM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds2

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

3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 83145037) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID83145037
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1CC(C)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-12(16(3,4)5)11-19-13(2)14(20)18-17(15(19)21)9-7-6-8-10-17/h12-13H,6-11H2,1-5H3,(H,18,20)
InChIKeyYBZVDGDYZZHXQM-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 83145037) is 3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1C(=O)NC2(CCCCC2)C(=O)N1CC(C)C(C)(C)C.
What is the InChIKey of 3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is YBZVDGDYZZHXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(16(3,4)5)11-19-13(2)14(20)18-17(15(19)21)9-7-6-8-10-17/h12-13H,6-11H2,1-5H3,(H,18,20).
What are the key properties of 3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 83145037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).