3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one

C22H23FN2O3 — CID 58436497

IUPAC3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2O
InChIInChI=1S/C22H23FN2O3/c1-14-3-4-16(15-5-7-17(23)8-6-15)13-18(14)19-20(26)22(24-21(19)27)9-11-25(28-2)12-10-22/h3-8,13,26H,9-12H2,1-2H3,(H,24,27)
InChIKeyOSIBPYWLQJCQFH-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.60
Rot. Bonds3

About 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one

3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 58436497) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID58436497
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2O
InChIInChI=1S/C22H23FN2O3/c1-14-3-4-16(15-5-7-17(23)8-6-15)13-18(14)19-20(26)22(24-21(19)27)9-11-25(28-2)12-10-22/h3-8,13,26H,9-12H2,1-2H3,(H,24,27)
InChIKeyOSIBPYWLQJCQFH-UHFFFAOYSA-N
XLogP3.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 58436497) is 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2O.
What is the InChIKey of 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is OSIBPYWLQJCQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-14-3-4-16(15-5-7-17(23)8-6-15)13-18(14)19-20(26)22(24-21(19)27)9-11-25(28-2)12-10-22/h3-8,13,26H,9-12H2,1-2H3,(H,24,27).
What are the key properties of 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one?
3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 382.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58436497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).