3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane

C17H25NO — CID 118404673

IUPAC3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCC1CCC2(CCN(c3ccccc3)CC2)OC1
InChIInChI=1S/C17H25NO/c1-2-15-8-9-17(19-14-15)10-12-18(13-11-17)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyWNGCYFTTZVTNNN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.86
Rot. Bonds2

About 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane

3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 118404673) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID118404673
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCC1CCC2(CCN(c3ccccc3)CC2)OC1
InChIInChI=1S/C17H25NO/c1-2-15-8-9-17(19-14-15)10-12-18(13-11-17)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyWNGCYFTTZVTNNN-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane (CID 118404673) is 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane is CCC1CCC2(CCN(c3ccccc3)CC2)OC1.
What is the InChIKey of 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is WNGCYFTTZVTNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-15-8-9-17(19-14-15)10-12-18(13-11-17)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3.
What are the key properties of 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane?
3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 259.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-phenyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 118404673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).