8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H28FN3O4 — CID 25122324

IUPAC8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
InChIKeyWILOTRUGSQCRHL-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.46
Rot. Bonds7

About 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 25122324) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID25122324
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
InChIKeyWILOTRUGSQCRHL-UHFFFAOYSA-N
XLogP3.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 25122324) is 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1.
What is the InChIKey of 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WILOTRUGSQCRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30).
What are the key properties of 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 441.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 25122324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).