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

C20H27FN2O4 — CID 51924291

IUPAC8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(C[C@@H](O)COCc1ccccc1F)C2=O
InChIInChI=1S/C20H27FN2O4/c1-2-14-7-9-20(10-8-14)18(25)23(19(26)22-20)11-16(24)13-27-12-15-5-3-4-6-17(15)21/h3-6,14,16,24H,2,7-13H2,1H3,(H,22,26)/t14?,16-,20?/m1/s1
InChIKeyKSQOIXHPFDLCQB-CZDRUDQFSA-N
MW378.44 g/mol
LogP2.59
Rot. Bonds7

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

8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 51924291) has the molecular formula C20H27FN2O4 and a molecular weight of 378.44 g/mol. Its IUPAC name is 8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID51924291
Molecular FormulaC20H27FN2O4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Name8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(C[C@@H](O)COCc1ccccc1F)C2=O
InChIInChI=1S/C20H27FN2O4/c1-2-14-7-9-20(10-8-14)18(25)23(19(26)22-20)11-16(24)13-27-12-15-5-3-4-6-17(15)21/h3-6,14,16,24H,2,7-13H2,1H3,(H,22,26)/t14?,16-,20?/m1/s1
InChIKeyKSQOIXHPFDLCQB-CZDRUDQFSA-N
XLogP2.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.59
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-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18086917
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17412187
8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26008305
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18288515
2-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18087078
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223018
8-ethyl-3-(2-methylpropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7568235
3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16566048
1-(2-ethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 17390802
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 25346087
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55421646
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-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 51924291) is 8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(C[C@@H](O)COCc1ccccc1F)C2=O.
What is the InChIKey of 8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KSQOIXHPFDLCQB-CZDRUDQFSA-N. The full InChI is InChI=1S/C20H27FN2O4/c1-2-14-7-9-20(10-8-14)18(25)23(19(26)22-20)11-16(24)13-27-12-15-5-3-4-6-17(15)21/h3-6,14,16,24H,2,7-13H2,1H3,(H,22,26)/t14?,16-,20?/m1/s1.
What are the key properties of 8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 378.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51924291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).