3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H28N2O2 — CID 64886495

IUPAC3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)N1C(=O)C2(CCCCC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-11(2)18-12(15(3,4)5)13(19)17-16(14(18)20)9-7-6-8-10-16/h11-12H,6-10H2,1-5H3,(H,17,19)
InChIKeyTYTCZDUPFFGUSL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds1

About 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64886495) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64886495
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)N1C(=O)C2(CCCCC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-11(2)18-12(15(3,4)5)13(19)17-16(14(18)20)9-7-6-8-10-16/h11-12H,6-10H2,1-5H3,(H,17,19)
InChIKeyTYTCZDUPFFGUSL-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione with MolForge

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Related Compounds

8-cyclopropyl-9-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885894
9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887804
4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 114420523
6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione
CID 64880665
8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885131
3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 83145037
4-(1-cyclopentylethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64972302
3-methyl-4-pentan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64957234
3-methyl-4-(3-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64964453
9-butan-2-yl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957601
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106329203
8-methyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957246

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64886495) is 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)N1C(=O)C2(CCCCC2)NC(=O)C1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is TYTCZDUPFFGUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)18-12(15(3,4)5)13(19)17-16(14(18)20)9-7-6-8-10-16/h11-12H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64886495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).