2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide

C22H31FN2O3 — CID 14823157

IUPAC2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
SMILESCN(C(=O)COc1ccc(F)cc1)C1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C22H31FN2O3/c1-24(21(26)16-27-18-7-5-17(23)6-8-18)19-9-11-22(10-4-14-28-22)15-20(19)25-12-2-3-13-25/h5-8,19-20H,2-4,9-16H2,1H3
InChIKeyHMRKGIFIGAZIAJ-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.23
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide

2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 14823157) has the molecular formula C22H31FN2O3 and a molecular weight of 390.50 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
PubChem CID14823157
Molecular FormulaC22H31FN2O3
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC Name2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
SMILESCN(C(=O)COc1ccc(F)cc1)C1CCC2(CCCO2)CC1N1CCCC1
InChIInChI=1S/C22H31FN2O3/c1-24(21(26)16-27-18-7-5-17(23)6-8-18)19-9-11-22(10-4-14-28-22)15-20(19)25-12-2-3-13-25/h5-8,19-20H,2-4,9-16H2,1H3
InChIKeyHMRKGIFIGAZIAJ-UHFFFAOYSA-N
XLogP3.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide (CID 14823157) is 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is CN(C(=O)COc1ccc(F)cc1)C1CCC2(CCCO2)CC1N1CCCC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is HMRKGIFIGAZIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O3/c1-24(21(26)16-27-18-7-5-17(23)6-8-18)19-9-11-22(10-4-14-28-22)15-20(19)25-12-2-3-13-25/h5-8,19-20H,2-4,9-16H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide?
2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 390.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 14823157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).