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

C20H27NO3 — CID 59584751

IUPAC8-methoxy-4-methyl-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)=C2C
InChIInChI=1S/C20H27NO3/c1-12-11-13(2)17(15(4)14(12)3)18-16(5)20(24-19(18)22)7-9-21(23-6)10-8-20/h11H,7-10H2,1-6H3
InChIKeyGVGNOCVLYBQVTJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.65
Rot. Bonds2

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

8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 59584751) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID59584751
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name8-methoxy-4-methyl-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)=C2C
InChIInChI=1S/C20H27NO3/c1-12-11-13(2)17(15(4)14(12)3)18-16(5)20(24-19(18)22)7-9-21(23-6)10-8-20/h11H,7-10H2,1-6H3
InChIKeyGVGNOCVLYBQVTJ-UHFFFAOYSA-N
XLogP3.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 59584751) is 8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-methoxy-4-methyl-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)=C2C.
What is the InChIKey of 8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is GVGNOCVLYBQVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-12-11-13(2)17(15(4)14(12)3)18-16(5)20(24-19(18)22)7-9-21(23-6)10-8-20/h11H,7-10H2,1-6H3.
What are the key properties of 8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 329.44 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 59584751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).