3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one

C24H27FN2O3 — CID 58436499

IUPAC3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(-c3ccc(F)cc3)c1C)=C2O
InChIInChI=1S/C24H27FN2O3/c1-14-13-15(2)20(16(3)19(14)17-5-7-18(25)8-6-17)21-22(28)24(26-23(21)29)9-11-27(30-4)12-10-24/h5-8,13,28H,9-12H2,1-4H3,(H,26,29)
InChIKeyKSUOORCUYDYLEJ-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.21
Rot. Bonds3

About 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one

3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 58436499) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID58436499
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(-c3ccc(F)cc3)c1C)=C2O
InChIInChI=1S/C24H27FN2O3/c1-14-13-15(2)20(16(3)19(14)17-5-7-18(25)8-6-17)21-22(28)24(26-23(21)29)9-11-27(30-4)12-10-24/h5-8,13,28H,9-12H2,1-4H3,(H,26,29)
InChIKeyKSUOORCUYDYLEJ-UHFFFAOYSA-N
XLogP4.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 58436499) is 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(-c3ccc(F)cc3)c1C)=C2O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is KSUOORCUYDYLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-14-13-15(2)20(16(3)19(14)17-5-7-18(25)8-6-17)21-22(28)24(26-23(21)29)9-11-27(30-4)12-10-24/h5-8,13,28H,9-12H2,1-4H3,(H,26,29).
What are the key properties of 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one?
3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 410.49 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-2,4,6-trimethylphenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58436499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).