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

C16H23NO2 — CID 65103852

IUPAC2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCOc1ccccc1C1CNCC2(CCCCC2)O1
InChIInChI=1S/C16H23NO2/c1-18-14-8-4-3-7-13(14)15-11-17-12-16(19-15)9-5-2-6-10-16/h3-4,7-8,15,17H,2,5-6,9-12H2,1H3
InChIKeyHETQPQHIXXPHGQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.06
Rot. Bonds2

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

2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65103852) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65103852
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCOc1ccccc1C1CNCC2(CCCCC2)O1
InChIInChI=1S/C16H23NO2/c1-18-14-8-4-3-7-13(14)15-11-17-12-16(19-15)9-5-2-6-10-16/h3-4,7-8,15,17H,2,5-6,9-12H2,1H3
InChIKeyHETQPQHIXXPHGQ-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane (CID 65103852) is 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane is COc1ccccc1C1CNCC2(CCCCC2)O1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is HETQPQHIXXPHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-14-8-4-3-7-13(14)15-11-17-12-16(19-15)9-5-2-6-10-16/h3-4,7-8,15,17H,2,5-6,9-12H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 261.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65103852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).