4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane

C17H25NO — CID 79441377

IUPAC4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCc1cccc(C2CNCCC23CCOC(C)C3)c1
InChIInChI=1S/C17H25NO/c1-13-4-3-5-15(10-13)16-12-18-8-6-17(16)7-9-19-14(2)11-17/h3-5,10,14,16,18H,6-9,11-12H2,1-2H3
InChIKeyAWIBRRASDDERMT-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.26
Rot. Bonds1

About 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane

4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 79441377) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID79441377
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCc1cccc(C2CNCCC23CCOC(C)C3)c1
InChIInChI=1S/C17H25NO/c1-13-4-3-5-15(10-13)16-12-18-8-6-17(16)7-9-19-14(2)11-17/h3-5,10,14,16,18H,6-9,11-12H2,1-2H3
InChIKeyAWIBRRASDDERMT-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-11-(3-methylphenyl)-3-oxa-9-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 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane (CID 79441377) is 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane is Cc1cccc(C2CNCCC23CCOC(C)C3)c1.
What is the InChIKey of 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is AWIBRRASDDERMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-4-3-5-15(10-13)16-12-18-8-6-17(16)7-9-19-14(2)11-17/h3-5,10,14,16,18H,6-9,11-12H2,1-2H3.
What are the key properties of 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane?
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 259.39 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79441377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).