7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C17H25NO4 — CID 171963578

IUPAC7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCOc1cccc(OCCC2(O)CC3COCC(C2)N3C)c1
InChIInChI=1S/C17H25NO4/c1-18-13-9-17(19,10-14(18)12-21-11-13)6-7-22-16-5-3-4-15(8-16)20-2/h3-5,8,13-14,19H,6-7,9-12H2,1-2H3
InChIKeyOAUNNJFDWSIAON-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.69
Rot. Bonds5

About 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171963578) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171963578
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCOc1cccc(OCCC2(O)CC3COCC(C2)N3C)c1
InChIInChI=1S/C17H25NO4/c1-18-13-9-17(19,10-14(18)12-21-11-13)6-7-22-16-5-3-4-15(8-16)20-2/h3-5,8,13-14,19H,6-7,9-12H2,1-2H3
InChIKeyOAUNNJFDWSIAON-UHFFFAOYSA-N
XLogP1.69
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171963578) is 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is COc1cccc(OCCC2(O)CC3COCC(C2)N3C)c1.
What is the InChIKey of 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is OAUNNJFDWSIAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-18-13-9-17(19,10-14(18)12-21-11-13)6-7-22-16-5-3-4-15(8-16)20-2/h3-5,8,13-14,19H,6-7,9-12H2,1-2H3.
What are the key properties of 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 307.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171963578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).