9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione

C19H26N2O2 — CID 64887804

IUPAC9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)(C)C1C(=O)NC2(CCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-18(2,3)15-16(22)20-19(11-7-8-12-19)17(23)21(15)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,22)
InChIKeyKUKFZDMNVHPBGJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.87
Rot. Bonds2

About 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione

9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64887804) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64887804
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)(C)C1C(=O)NC2(CCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-18(2,3)15-16(22)20-19(11-7-8-12-19)17(23)21(15)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,22)
InChIKeyKUKFZDMNVHPBGJ-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64887804) is 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione is CC(C)(C)C1C(=O)NC2(CCCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is KUKFZDMNVHPBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-18(2,3)15-16(22)20-19(11-7-8-12-19)17(23)21(15)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,22).
What are the key properties of 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione?
9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 314.43 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64887804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).