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

C19H25NO4 — CID 59584748

IUPAC8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCCON1CCC2(CC1)OC(=O)C(c1c(C)cc(C)cc1C)=C2O
InChIInChI=1S/C19H25NO4/c1-5-23-20-8-6-19(7-9-20)17(21)16(18(22)24-19)15-13(3)10-12(2)11-14(15)4/h10-11,21H,5-9H2,1-4H3
InChIKeyMAHPLDLGRHGABO-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.22
Rot. Bonds3

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

8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 59584748) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID59584748
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCCON1CCC2(CC1)OC(=O)C(c1c(C)cc(C)cc1C)=C2O
InChIInChI=1S/C19H25NO4/c1-5-23-20-8-6-19(7-9-20)17(21)16(18(22)24-19)15-13(3)10-12(2)11-14(15)4/h10-11,21H,5-9H2,1-4H3
InChIKeyMAHPLDLGRHGABO-UHFFFAOYSA-N
XLogP3.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 59584748) is 8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CCON1CCC2(CC1)OC(=O)C(c1c(C)cc(C)cc1C)=C2O.
What is the InChIKey of 8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is MAHPLDLGRHGABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-23-20-8-6-19(7-9-20)17(21)16(18(22)24-19)15-13(3)10-12(2)11-14(15)4/h10-11,21H,5-9H2,1-4H3.
What are the key properties of 8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 331.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 59584748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).