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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Related Compounds

2-(3,4-dichlorophenoxy)-N-methyl-N-[(5R,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 18641708
N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
CID 14155457
N-methyl-2-(3-nitrophenoxy)-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 14155492
N-methyl-2-phenoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877991
N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide
CID 22837720
2-(1-benzofuran-2-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 22837715
N-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 14040444
2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 14986779
2-(3,4-dichlorophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;methanesulfonic acid
CID 11957718
2-(1-benzofuran-4-yl)-N-methyl-N-[(5S,7R,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 22860071
2-cyclopenta[b]pyran-2-yl-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
CID 70179281
2-phenyl-N-(phosphanyloxymethyl)-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
CID 130461867

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).