3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C18H23FN2O4 — CID 31576115

IUPAC3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C[C@H](O)COc2ccc(F)cc2)C(=O)C12CCCCC2
InChIInChI=1S/C18H23FN2O4/c1-20-17(24)21(16(23)18(20)9-3-2-4-10-18)11-14(22)12-25-15-7-5-13(19)6-8-15/h5-8,14,22H,2-4,9-12H2,1H3/t14-/m0/s1
InChIKeyQQZGJNYHIZRFMB-AWEZNQCLSA-N
MW350.39 g/mol
LogP2.16
Rot. Bonds5

About 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 31576115) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID31576115
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C[C@H](O)COc2ccc(F)cc2)C(=O)C12CCCCC2
InChIInChI=1S/C18H23FN2O4/c1-20-17(24)21(16(23)18(20)9-3-2-4-10-18)11-14(22)12-25-15-7-5-13(19)6-8-15/h5-8,14,22H,2-4,9-12H2,1H3/t14-/m0/s1
InChIKeyQQZGJNYHIZRFMB-AWEZNQCLSA-N
XLogP2.16
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 52502610
3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51223241
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 18086921
(3aR,7aS)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98130405
4-[3-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-2-hydroxypropoxy]benzonitrile
CID 18086925
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42947275
(3aR,7aR)-2-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124742317
(5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 94799111
N-ethyl-N-(4-fluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51196261

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 31576115) is 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(C[C@H](O)COc2ccc(F)cc2)C(=O)C12CCCCC2.
What is the InChIKey of 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QQZGJNYHIZRFMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-20-17(24)21(16(23)18(20)9-3-2-4-10-18)11-14(22)12-25-15-7-5-13(19)6-8-15/h5-8,14,22H,2-4,9-12H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 350.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 31576115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).