8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H19F3N2O2 — CID 2578417

IUPAC8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1ccccc1C(F)(F)F)C2=O
InChIInChI=1S/C17H19F3N2O2/c1-11-6-8-16(9-7-11)14(23)22(15(24)21-16)10-12-4-2-3-5-13(12)17(18,19)20/h2-5,11H,6-10H2,1H3,(H,21,24)
InChIKeyFEWBRLIWPMEGGI-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.71
Rot. Bonds2

About 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2578417) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2578417
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1ccccc1C(F)(F)F)C2=O
InChIInChI=1S/C17H19F3N2O2/c1-11-6-8-16(9-7-11)14(23)22(15(24)21-16)10-12-4-2-3-5-13(12)17(18,19)20/h2-5,11H,6-10H2,1H3,(H,21,24)
InChIKeyFEWBRLIWPMEGGI-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265698
(5R,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265700
5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 84601768
(5S)-5-ethyl-5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 7242796
3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 71977050
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170121
(5S)-5-phenyl-5-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40882948
3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75517307
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18086917
3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79233332
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2578417) is 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(Cc1ccccc1C(F)(F)F)C2=O.
What is the InChIKey of 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FEWBRLIWPMEGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-11-6-8-16(9-7-11)14(23)22(15(24)21-16)10-12-4-2-3-5-13(12)17(18,19)20/h2-5,11H,6-10H2,1H3,(H,21,24).
What are the key properties of 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 340.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2578417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).