2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione

C23H26N2O2 — CID 1043268

IUPAC2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione
SMILESO=C1N(Cc2ccccc2)CCCC12CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C23H26N2O2/c26-21-23(13-7-15-24(21)17-19-9-3-1-4-10-19)14-8-16-25(22(23)27)18-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2
InChIKeyQALSVTWHUKILFX-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.62
Rot. Bonds4

About 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione

2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione (PubChem CID 1043268) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione.

Molecular Properties

Compound Name2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione
PubChem CID1043268
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione
SMILESO=C1N(Cc2ccccc2)CCCC12CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C23H26N2O2/c26-21-23(13-7-15-24(21)17-19-9-3-1-4-10-19)14-8-16-25(22(23)27)18-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2
InChIKeyQALSVTWHUKILFX-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione?
The IUPAC name of 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione (CID 1043268) is 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione.
What is the SMILES notation for 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione?
The canonical SMILES for 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione is O=C1N(Cc2ccccc2)CCCC12CCCN(Cc1ccccc1)C2=O.
What is the InChIKey of 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione?
The InChIKey is QALSVTWHUKILFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-21-23(13-7-15-24(21)17-19-9-3-1-4-10-19)14-8-16-25(22(23)27)18-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2.
What are the key properties of 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione?
2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione has a molecular weight of 362.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione is sourced from PubChem (CID 1043268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).