1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H28N2O2 — CID 64874785

IUPAC1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)CN1C(=O)C(C(C)C)NC(=O)C12CCCCC2
InChIInChI=1S/C16H28N2O2/c1-11(2)10-18-14(19)13(12(3)4)17-15(20)16(18)8-6-5-7-9-16/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeyWMRZRHYRFSOPLF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds3

About 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64874785) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64874785
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)CN1C(=O)C(C(C)C)NC(=O)C12CCCCC2
InChIInChI=1S/C16H28N2O2/c1-11(2)10-18-14(19)13(12(3)4)17-15(20)16(18)8-6-5-7-9-16/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeyWMRZRHYRFSOPLF-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874606
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65463301
3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874601
6-(cyclobutylmethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 65463300
6,8-di(propan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874595
6-(2,2-difluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64875299
15-(2-methylpropyl)-7,15-diazadispiro[4.2.58.25]pentadecane-6,14-dione
CID 64884969
14-(2-methylpropyl)-7,14-diazadispiro[4.2.48.25]tetradecane-6,13-dione
CID 64886855
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898298
3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887536
3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903245
1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 83168970

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64874785) is 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)CN1C(=O)C(C(C)C)NC(=O)C12CCCCC2.
What is the InChIKey of 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is WMRZRHYRFSOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)10-18-14(19)13(12(3)4)17-15(20)16(18)8-6-5-7-9-16/h11-13H,5-10H2,1-4H3,(H,17,20).
What are the key properties of 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64874785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).