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

C20H28N2O2 — CID 64903052

IUPAC1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)(C)C1NC(=O)C2(CCCCC2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C20H28N2O2/c1-19(2,3)16-17(23)22(14-15-10-6-4-7-11-15)20(18(24)21-16)12-8-5-9-13-20/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3,(H,21,24)
InChIKeyQSVIGDANHUAVTE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.26
Rot. Bonds2

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

1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64903052) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64903052
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)(C)C1NC(=O)C2(CCCCC2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C20H28N2O2/c1-19(2,3)16-17(23)22(14-15-10-6-4-7-11-15)20(18(24)21-16)12-8-5-9-13-20/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3,(H,21,24)
InChIKeyQSVIGDANHUAVTE-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64903052) is 1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)(C)C1NC(=O)C2(CCCCC2)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is QSVIGDANHUAVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,3)16-17(23)22(14-15-10-6-4-7-11-15)20(18(24)21-16)12-8-5-9-13-20/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3,(H,21,24).
What are the key properties of 1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 328.46 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64903052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).