2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one

C17H23NO3 — CID 72926856

IUPAC2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one
SMILESCOc1ccc(OCCN2CC3(CCCC3)CC2=O)cc1
InChIInChI=1S/C17H23NO3/c1-20-14-4-6-15(7-5-14)21-11-10-18-13-17(12-16(18)19)8-2-3-9-17/h4-7H,2-3,8-13H2,1H3
InChIKeySASLLSIHVKBWDB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.87
Rot. Bonds5

About 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one

2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one (PubChem CID 72926856) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one
PubChem CID72926856
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one
SMILESCOc1ccc(OCCN2CC3(CCCC3)CC2=O)cc1
InChIInChI=1S/C17H23NO3/c1-20-14-4-6-15(7-5-14)21-11-10-18-13-17(12-16(18)19)8-2-3-9-17/h4-7H,2-3,8-13H2,1H3
InChIKeySASLLSIHVKBWDB-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one (CID 72926856) is 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one is COc1ccc(OCCN2CC3(CCCC3)CC2=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one?
The InChIKey is SASLLSIHVKBWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-14-4-6-15(7-5-14)21-11-10-18-13-17(12-16(18)19)8-2-3-9-17/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one?
2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one has a molecular weight of 289.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 72926856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).