3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane

C17H25NO2 — CID 62526803

IUPAC3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
SMILESCOc1ccc(C2CNC3(CCC(C)CC3)CO2)cc1
InChIInChI=1S/C17H25NO2/c1-13-7-9-17(10-8-13)12-20-16(11-18-17)14-3-5-15(19-2)6-4-14/h3-6,13,16,18H,7-12H2,1-2H3
InChIKeyCIKMIOKVIAWGCR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.31
Rot. Bonds2

About 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane

3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 62526803) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
PubChem CID62526803
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane
SMILESCOc1ccc(C2CNC3(CCC(C)CC3)CO2)cc1
InChIInChI=1S/C17H25NO2/c1-13-7-9-17(10-8-13)12-20-16(11-18-17)14-3-5-15(19-2)6-4-14/h3-6,13,16,18H,7-12H2,1-2H3
InChIKeyCIKMIOKVIAWGCR-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-9-methyl-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

Related Compounds

Isoxsuprine Hydrochloride
CID 11368
Isoxsuprine
CID 11779629
4-[1-Hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
CID 3783
(R/S)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888070
(R)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888101
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56658589
2-{[2-Hydroxy-2-(4-methoxyphenyl)-1-methylethyl]amino}-1-(4-methoxyphenyl)-1-propanol
CID 3294422
4-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-butanamine
CID 2846243
4T66VH9Cfl
CID 25188770
2-(4-Methoxyphenyl)morpholine
CID 3759546
Fenalcomine
CID 71934
(Cyclohexylmethyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846295

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane (CID 62526803) is 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane is COc1ccc(C2CNC3(CCC(C)CC3)CO2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is CIKMIOKVIAWGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-7-9-17(10-8-13)12-20-16(11-18-17)14-3-5-15(19-2)6-4-14/h3-6,13,16,18H,7-12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane?
3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 275.39 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 62526803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).