3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane

C17H25NO2 — CID 62520363

IUPAC3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESCOc1ccc(C)cc1C1CNC2(CCCCC2)CO1
InChIInChI=1S/C17H25NO2/c1-13-6-7-15(19-2)14(10-13)16-11-18-17(12-20-16)8-4-3-5-9-17/h6-7,10,16,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyQCPKEFFQKDPOPI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.37
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane

3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 62520363) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane
PubChem CID62520363
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane
SMILESCOc1ccc(C)cc1C1CNC2(CCCCC2)CO1
InChIInChI=1S/C17H25NO2/c1-13-6-7-15(19-2)14(10-13)16-11-18-17(12-20-16)8-4-3-5-9-17/h6-7,10,16,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyQCPKEFFQKDPOPI-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methoxy-5-methylphenyl)-4-oxa-1-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 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane (CID 62520363) is 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane is COc1ccc(C)cc1C1CNC2(CCCCC2)CO1.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is QCPKEFFQKDPOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-6-7-15(19-2)14(10-13)16-11-18-17(12-20-16)8-4-3-5-9-17/h6-7,10,16,18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane?
3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 275.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 62520363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).