8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane

C16H23NO3 — CID 62517905

IUPAC8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane
SMILESCOc1ccc(C2CNC3(CCCC3)CO2)cc1OC
InChIInChI=1S/C16H23NO3/c1-18-13-6-5-12(9-14(13)19-2)15-10-17-16(11-20-15)7-3-4-8-16/h5-6,9,15,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyXGEZQJWZXWIHOD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.68
Rot. Bonds3

About 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane

8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane (PubChem CID 62517905) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane
PubChem CID62517905
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane
SMILESCOc1ccc(C2CNC3(CCCC3)CO2)cc1OC
InChIInChI=1S/C16H23NO3/c1-18-13-6-5-12(9-14(13)19-2)15-10-17-16(11-20-15)7-3-4-8-16/h5-6,9,15,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyXGEZQJWZXWIHOD-UHFFFAOYSA-N
XLogP2.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane (CID 62517905) is 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane is COc1ccc(C2CNC3(CCCC3)CO2)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane?
The InChIKey is XGEZQJWZXWIHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-13-6-5-12(9-14(13)19-2)15-10-17-16(11-20-15)7-3-4-8-16/h5-6,9,15,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane?
8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane has a molecular weight of 277.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 62517905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).