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

C24H25FN2O4 — CID 58436510

IUPAC[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate
SMILESCON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2OC(C)=O
InChIInChI=1S/C24H25FN2O4/c1-15-4-5-18(17-6-8-19(25)9-7-17)14-20(15)21-22(31-16(2)28)24(26-23(21)29)10-12-27(30-3)13-11-24/h4-9,14H,10-13H2,1-3H3,(H,26,29)
InChIKeyCNLSKYOXFLQKHO-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.60
Rot. Bonds4

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

[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate (PubChem CID 58436510) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate.

Molecular Properties

Compound Name[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate
PubChem CID58436510
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate
SMILESCON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1C)=C2OC(C)=O
InChIInChI=1S/C24H25FN2O4/c1-15-4-5-18(17-6-8-19(25)9-7-17)14-20(15)21-22(31-16(2)28)24(26-23(21)29)10-12-27(30-3)13-11-24/h4-9,14H,10-13H2,1-3H3,(H,26,29)
InChIKeyCNLSKYOXFLQKHO-UHFFFAOYSA-N
XLogP3.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate?
The IUPAC name of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate (CID 58436510) is [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate.
What is the SMILES notation for [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate?
The canonical SMILES for [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate is CON1CCC2(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-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate?
The InChIKey is CNLSKYOXFLQKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-15-4-5-18(17-6-8-19(25)9-7-17)14-20(15)21-22(31-16(2)28)24(26-23(21)29)10-12-27(30-3)13-11-24/h4-9,14H,10-13H2,1-3H3,(H,26,29).
What are the key properties of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate?
[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate has a molecular weight of 424.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] acetate is sourced from PubChem (CID 58436510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).