3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C18H23FN2O3 — CID 78867246

IUPAC3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCC(C)C12NC(=O)N(CCOc1cccc(F)c1)C2=O
InChIInChI=1S/C18H23FN2O3/c1-12-5-3-6-13(2)18(12)16(22)21(17(23)20-18)9-10-24-15-8-4-7-14(19)11-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,20,23)
InChIKeyLOVKREYDTRYYSN-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.95
Rot. Bonds4

About 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 78867246) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID78867246
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCC(C)C12NC(=O)N(CCOc1cccc(F)c1)C2=O
InChIInChI=1S/C18H23FN2O3/c1-12-5-3-6-13(2)18(12)16(22)21(17(23)20-18)9-10-24-15-8-4-7-14(19)11-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,20,23)
InChIKeyLOVKREYDTRYYSN-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 112774676
3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43365740
8-ethyl-3-[2-(3-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180837
3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42898078
1-[(2R)-2-[(2R)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95325300
1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95325298
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56707190
3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677822
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30668854
1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 156605496

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 78867246) is 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCC(C)C12NC(=O)N(CCOc1cccc(F)c1)C2=O.
What is the InChIKey of 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is LOVKREYDTRYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-12-5-3-6-13(2)18(12)16(22)21(17(23)20-18)9-10-24-15-8-4-7-14(19)11-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,20,23).
What are the key properties of 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 334.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 78867246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).