4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one

C18H20F3NO2 — CID 138977291

IUPAC4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCNC1=C(Cc2ccc(C(F)(F)F)cc2)C(=O)OC12CCCCC2
InChIInChI=1S/C18H20F3NO2/c1-22-15-14(16(23)24-17(15)9-3-2-4-10-17)11-12-5-7-13(8-6-12)18(19,20)21/h5-8,22H,2-4,9-11H2,1H3
InChIKeyCMJLEALEWFAPNR-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.98
Rot. Bonds3

About 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one

4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 138977291) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID138977291
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCNC1=C(Cc2ccc(C(F)(F)F)cc2)C(=O)OC12CCCCC2
InChIInChI=1S/C18H20F3NO2/c1-22-15-14(16(23)24-17(15)9-3-2-4-10-17)11-12-5-7-13(8-6-12)18(19,20)21/h5-8,22H,2-4,9-11H2,1H3
InChIKeyCMJLEALEWFAPNR-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl 4-methyl-6-methylamino-2-(4-trifluoromethyl-phenyl)cyclohexa-3,6-diene-1,3-dicarboxylate
CID 15813206
3-Benzyl-4-(2,2-difluoroethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977279
3-[(4-Chlorophenyl)methyl]-4-(2,2-difluoroethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977281
4-(2,2-Difluoroethylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977290
Ethyl 2-[[1-ethoxy-1-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-yl]amino]cyclopentene-1-carboxylate;methane
CID 144447481
Ethyl 2-[[1-ethoxy-1-oxo-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]amino]cyclopentene-1-carboxylate
CID 144447517
3-[(4-Chlorophenyl)methyl]-4-(methylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977286
Ethyl 2-[[1-ethoxy-1-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-yl]amino]cyclopentene-1-carboxylate
CID 144447482
4-Amino-3-(4-tert-butylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 147526508
5-Methylidene-3-(4-methylphenyl)-4-[(4-methylphenyl)methylamino]furan-2-one
CID 71625989

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one (CID 138977291) is 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one is CNC1=C(Cc2ccc(C(F)(F)F)cc2)C(=O)OC12CCCCC2.
What is the InChIKey of 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is CMJLEALEWFAPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-22-15-14(16(23)24-17(15)9-3-2-4-10-17)11-12-5-7-13(8-6-12)18(19,20)21/h5-8,22H,2-4,9-11H2,1H3.
What are the key properties of 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 339.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 138977291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).