3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C18H23F3N2O2 — CID 154794953

IUPAC3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCC2(CCOC2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)14-3-1-2-4-15(14)22-16(24)5-9-23-10-6-17(7-11-23)8-12-25-13-17/h1-4H,5-13H2,(H,22,24)
InChIKeyXFYHCLFOGSERKB-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.54
Rot. Bonds4

About 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 154794953) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID154794953
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCC2(CCOC2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)14-3-1-2-4-15(14)22-16(24)5-9-23-10-6-17(7-11-23)8-12-25-13-17/h1-4H,5-13H2,(H,22,24)
InChIKeyXFYHCLFOGSERKB-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
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3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109029939
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
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N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
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3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109034854
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113160713
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
CID 171327611
4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115293483
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 109028574

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 154794953) is 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCN1CCC2(CCOC2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XFYHCLFOGSERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)14-3-1-2-4-15(14)22-16(24)5-9-23-10-6-17(7-11-23)8-12-25-13-17/h1-4H,5-13H2,(H,22,24).
What are the key properties of 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 356.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 154794953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).