5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane

C17H25NO2 — CID 2817659

IUPAC5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
SMILESCOc1ccc(C2CN(C)COC23CCCCC3)cc1
InChIInChI=1S/C17H25NO2/c1-18-12-16(14-6-8-15(19-2)9-7-14)17(20-13-18)10-4-3-5-11-17/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyLAMCFGHHGFIVSC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.40
Rot. Bonds2

About 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane

5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane (PubChem CID 2817659) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
PubChem CID2817659
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
SMILESCOc1ccc(C2CN(C)COC23CCCCC3)cc1
InChIInChI=1S/C17H25NO2/c1-18-12-16(14-6-8-15(19-2)9-7-14)17(20-13-18)10-4-3-5-11-17/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyLAMCFGHHGFIVSC-UHFFFAOYSA-N
XLogP3.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane (CID 2817659) is 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane is COc1ccc(C2CN(C)COC23CCCCC3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane?
The InChIKey is LAMCFGHHGFIVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-12-16(14-6-8-15(19-2)9-7-14)17(20-13-18)10-4-3-5-11-17/h6-9,16H,3-5,10-13H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane?
5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane has a molecular weight of 275.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane is sourced from PubChem (CID 2817659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).