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

C19H25NO4 — CID 59584738

IUPAC4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)OC(=O)C(c1c(C)cc(C)c(C)c1C)=C2O
InChIInChI=1S/C19H25NO4/c1-11-10-12(2)15(14(4)13(11)3)16-17(21)19(24-18(16)22)6-8-20(23-5)9-7-19/h10,21H,6-9H2,1-5H3
InChIKeyHIBNYXUEWLEOIL-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.14
Rot. Bonds2

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

4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 59584738) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID59584738
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)OC(=O)C(c1c(C)cc(C)c(C)c1C)=C2O
InChIInChI=1S/C19H25NO4/c1-11-10-12(2)15(14(4)13(11)3)16-17(21)19(24-18(16)22)6-8-20(23-5)9-7-19/h10,21H,6-9H2,1-5H3
InChIKeyHIBNYXUEWLEOIL-UHFFFAOYSA-N
XLogP3.14
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 59584738) is 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-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-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)OC(=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-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is HIBNYXUEWLEOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-11-10-12(2)15(14(4)13(11)3)16-17(21)19(24-18(16)22)6-8-20(23-5)9-7-19/h10,21H,6-9H2,1-5H3.
What are the key properties of 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 331.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 59584738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).