8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione

C23H32FN3O4 — CID 123460903

IUPAC8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C)c(CCC2CN(CCF)C2C2(O)CCC3(CC2)NC(=O)NC3=O)c1
InChIInChI=1S/C23H32FN3O4/c1-15-3-6-18(31-2)13-16(15)4-5-17-14-27(12-11-24)19(17)23(30)9-7-22(8-10-23)20(28)25-21(29)26-22/h3,6,13,17,19,30H,4-5,7-12,14H2,1-2H3,(H2,25,26,28,29)
InChIKeyJYVBJZHHMXPVET-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.09
Rot. Bonds7

About 8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione

8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 123460903) has the molecular formula C23H32FN3O4 and a molecular weight of 433.52 g/mol. Its IUPAC name is 8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID123460903
Molecular FormulaC23H32FN3O4
Molecular Weight433.52 g/mol
Exact Mass433.24
IUPAC Name8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C)c(CCC2CN(CCF)C2C2(O)CCC3(CC2)NC(=O)NC3=O)c1
InChIInChI=1S/C23H32FN3O4/c1-15-3-6-18(31-2)13-16(15)4-5-17-14-27(12-11-24)19(17)23(30)9-7-22(8-10-23)20(28)25-21(29)26-22/h3,6,13,17,19,30H,4-5,7-12,14H2,1-2H3,(H2,25,26,28,29)
InChIKeyJYVBJZHHMXPVET-UHFFFAOYSA-N
XLogP2.09
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.09
H-Bond Donors ≤ 53
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-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione (CID 123460903) is 8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(C)c(CCC2CN(CCF)C2C2(O)CCC3(CC2)NC(=O)NC3=O)c1.
What is the InChIKey of 8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JYVBJZHHMXPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4/c1-15-3-6-18(31-2)13-16(15)4-5-17-14-27(12-11-24)19(17)23(30)9-7-22(8-10-23)20(28)25-21(29)26-22/h3,6,13,17,19,30H,4-5,7-12,14H2,1-2H3,(H2,25,26,28,29).
What are the key properties of 8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione?
8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 433.52 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-fluoroethyl)-3-[2-(5-methoxy-2-methylphenyl)ethyl]azetidin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 123460903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).