4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

C20H27NO3 — CID 54712648

IUPAC4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(C)c1C)=C2O
InChIInChI=1S/C20H27NO3/c1-11-10-12(2)16(14(4)13(11)3)17-18(22)20(21-19(17)23)8-6-15(24-5)7-9-20/h10,15,22H,6-9H2,1-5H3,(H,21,23)
InChIKeyGDTOBYFWBPZLME-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.65
Rot. Bonds2

About 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 54712648) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID54712648
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(C)c1C)=C2O
InChIInChI=1S/C20H27NO3/c1-11-10-12(2)16(14(4)13(11)3)17-18(22)20(21-19(17)23)8-6-15(24-5)7-9-20/h10,15,22H,6-9H2,1-5H3,(H,21,23)
InChIKeyGDTOBYFWBPZLME-UHFFFAOYSA-N
XLogP3.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (CID 54712648) is 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is COC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)c(C)c1C)=C2O.
What is the InChIKey of 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is GDTOBYFWBPZLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-11-10-12(2)16(14(4)13(11)3)17-18(22)20(21-19(17)23)8-6-15(24-5)7-9-20/h10,15,22H,6-9H2,1-5H3,(H,21,23).
What are the key properties of 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 329.44 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 54712648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).