3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H21FN2O4 — CID 18087015

IUPAC3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(O)COCc1ccccc1F
InChIInChI=1S/C17H21FN2O4/c18-14-6-2-1-5-12(14)10-24-11-13(21)9-20-15(22)17(19-16(20)23)7-3-4-8-17/h1-2,5-6,13,21H,3-4,7-11H2,(H,19,23)
InChIKeyRUKFTRNJRMQREJ-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.57
Rot. Bonds6

About 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 18087015) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID18087015
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(O)COCc1ccccc1F
InChIInChI=1S/C17H21FN2O4/c18-14-6-2-1-5-12(14)10-24-11-13(21)9-20-15(22)17(19-16(20)23)7-3-4-8-17/h1-2,5-6,13,21H,3-4,7-11H2,(H,19,23)
InChIKeyRUKFTRNJRMQREJ-UHFFFAOYSA-N
XLogP1.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 18087015) is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CC(O)COCc1ccccc1F.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RUKFTRNJRMQREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c18-14-6-2-1-5-12(14)10-24-11-13(21)9-20-15(22)17(19-16(20)23)7-3-4-8-17/h1-2,5-6,13,21H,3-4,7-11H2,(H,19,23).
What are the key properties of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 336.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 18087015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).