8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C20H23F3N2O3 — CID 70813820

IUPAC8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O3/c1-3-25-9-7-19(8-10-25)16(13(2)18(27)28-19)17(26)24-12-14-5-4-6-15(11-14)20(21,22)23/h4-6,11H,3,7-10,12H2,1-2H3,(H,24,26)
InChIKeyPFWPRYKMGRIBTF-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.05
Rot. Bonds4

About 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 70813820) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID70813820
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O3/c1-3-25-9-7-19(8-10-25)16(13(2)18(27)28-19)17(26)24-12-14-5-4-6-15(11-14)20(21,22)23/h4-6,11H,3,7-10,12H2,1-2H3,(H,24,26)
InChIKeyPFWPRYKMGRIBTF-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-oxo-8-(3-phenylpropyl)-N-[2-[3-(trifluoromethyl)anilino]ethyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 123185818
3-methyl-2-oxo-8-(oxolan-3-ylmethyl)-N-[2-[3-(trifluoromethyl)anilino]ethyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 123433893
8-ethyl-4-[4-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 70812541
N-[2-(azepan-1-yl)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906684
8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 162590777
8-ethyl-3-methyl-2-oxo-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 66550437
8-ethyl-4-[5-[4-hydroxy-3-(trifluoromethyl)anilino]pentanoyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 162558684
8-ethyl-3-methyl-N-[2-[[2-methyl-5-(trifluoromethyl)cyclohex-2-en-1-ylidene]amino]ethyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 123534617
N-[2-(cyclohexen-1-yl)ethyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906666
8-benzyl-N-(3-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50757913
8-ethyl-3-methyl-4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 66549995
4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 70813820) is 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is PFWPRYKMGRIBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-3-25-9-7-19(8-10-25)16(13(2)18(27)28-19)17(26)24-12-14-5-4-6-15(11-14)20(21,22)23/h4-6,11H,3,7-10,12H2,1-2H3,(H,24,26).
What are the key properties of 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 70813820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).