2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane

C17H25NO2 — CID 65213583

IUPAC2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCCOc1cccc(C2CNCC3(CCCCC3)O2)c1
InChIInChI=1S/C17H25NO2/c1-2-19-15-8-6-7-14(11-15)16-12-18-13-17(20-16)9-4-3-5-10-17/h6-8,11,16,18H,2-5,9-10,12-13H2,1H3
InChIKeyKKHJMOGPTNUDEQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.45
Rot. Bonds3

About 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane

2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65213583) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65213583
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCCOc1cccc(C2CNCC3(CCCCC3)O2)c1
InChIInChI=1S/C17H25NO2/c1-2-19-15-8-6-7-14(11-15)16-12-18-13-17(20-16)9-4-3-5-10-17/h6-8,11,16,18H,2-5,9-10,12-13H2,1H3
InChIKeyKKHJMOGPTNUDEQ-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane (CID 65213583) is 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane is CCOc1cccc(C2CNCC3(CCCCC3)O2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is KKHJMOGPTNUDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-19-15-8-6-7-14(11-15)16-12-18-13-17(20-16)9-4-3-5-10-17/h6-8,11,16,18H,2-5,9-10,12-13H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 275.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65213583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).