3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C25H28F2N2O4 — CID 16566048

IUPAC3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C2=O
InChIInChI=1S/C25H28F2N2O4/c1-16-10-12-25(13-11-16)23(31)29(24(32)28-25)14-21(30)15-33-22(17-2-6-19(26)7-3-17)18-4-8-20(27)9-5-18/h2-9,16,21-22,30H,10-15H2,1H3,(H,28,32)
InChIKeyJUGZRPVYYREWKM-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.93
Rot. Bonds7

About 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 16566048) has the molecular formula C25H28F2N2O4 and a molecular weight of 458.51 g/mol. Its IUPAC name is 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID16566048
Molecular FormulaC25H28F2N2O4
Molecular Weight458.51 g/mol
Exact Mass458.20
IUPAC Name3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C2=O
InChIInChI=1S/C25H28F2N2O4/c1-16-10-12-25(13-11-16)23(31)29(24(32)28-25)14-21(30)15-33-22(17-2-6-19(26)7-3-17)18-4-8-20(27)9-5-18/h2-9,16,21-22,30H,10-15H2,1H3,(H,28,32)
InChIKeyJUGZRPVYYREWKM-UHFFFAOYSA-N
XLogP3.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31569790
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18086917
3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 25372678
8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51924291
3-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26482215
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 47556102
3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 95582367
(2S)-1-[bis(4-fluorophenyl)methoxy]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 8009015
3-[2-(3-chlorophenyl)-2-hydroxyethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 111476304
(3aS,7aS)-2-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 129376735
3-(3-bromo-2-methylpropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 64995610
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267

Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 16566048) is 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CC(O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C2=O.
What is the InChIKey of 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JUGZRPVYYREWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O4/c1-16-10-12-25(13-11-16)23(31)29(24(32)28-25)14-21(30)15-33-22(17-2-6-19(26)7-3-17)18-4-8-20(27)9-5-18/h2-9,16,21-22,30H,10-15H2,1H3,(H,28,32).
What are the key properties of 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 458.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 16566048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).