[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate

C25H26FNO4 — CID 58283724

IUPAC[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate
SMILESCOC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2OC(C)=O
InChIInChI=1S/C25H26FNO4/c1-15-4-5-18(17-6-8-19(26)9-7-17)14-21(15)22-23(31-16(2)28)25(27-24(22)29)12-10-20(30-3)11-13-25/h4-9,14,20H,10-13H2,1-3H3,(H,27,29)
InChIKeyUWUXWOCEDYNDHK-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.53
Rot. Bonds4

About [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate

[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate (PubChem CID 58283724) has the molecular formula C25H26FNO4 and a molecular weight of 423.48 g/mol. Its IUPAC name is [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate.

Molecular Properties

Compound Name[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate
PubChem CID58283724
Molecular FormulaC25H26FNO4
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate
SMILESCOC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2OC(C)=O
InChIInChI=1S/C25H26FNO4/c1-15-4-5-18(17-6-8-19(26)9-7-17)14-21(15)22-23(31-16(2)28)25(27-24(22)29)12-10-20(30-3)11-13-25/h4-9,14,20H,10-13H2,1-3H3,(H,27,29)
InChIKeyUWUXWOCEDYNDHK-UHFFFAOYSA-N
XLogP4.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate?
The IUPAC name of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate (CID 58283724) is [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate.
What is the SMILES notation for [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate?
The canonical SMILES for [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate is COC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2OC(C)=O.
What is the InChIKey of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate?
The InChIKey is UWUXWOCEDYNDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO4/c1-15-4-5-18(17-6-8-19(26)9-7-17)14-21(15)22-23(31-16(2)28)25(27-24(22)29)12-10-20(30-3)11-13-25/h4-9,14,20H,10-13H2,1-3H3,(H,27,29).
What are the key properties of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate?
[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate has a molecular weight of 423.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] acetate is sourced from PubChem (CID 58283724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).