3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C18H26N2O — CID 59473673

IUPAC3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)(C)N1CCC2(CC1)CC(Cc1ccccc1)=NO2
InChIInChI=1S/C18H26N2O/c1-17(2,3)20-11-9-18(10-12-20)14-16(19-21-18)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyRIBPIFUFWANHJD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.64
Rot. Bonds2

About 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 59473673) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID59473673
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)(C)N1CCC2(CC1)CC(Cc1ccccc1)=NO2
InChIInChI=1S/C18H26N2O/c1-17(2,3)20-11-9-18(10-12-20)14-16(19-21-18)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyRIBPIFUFWANHJD-UHFFFAOYSA-N
XLogP3.64
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 59473673) is 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC(C)(C)N1CCC2(CC1)CC(Cc1ccccc1)=NO2.
What is the InChIKey of 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is RIBPIFUFWANHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)20-11-9-18(10-12-20)14-16(19-21-18)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3.
What are the key properties of 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 286.42 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 59473673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).