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

C22H31NO3 — CID 76853144

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

8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 76853144) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

• Compound Name: 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
• PubChem CID: 76853144
• Molecular Formula: C22H31NO3
• Molecular Weight: 357.49 g/mol
• Exact Mass: 357.23
• IUPAC Name: 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
• SMILES: CCc1cc(C)cc(C)c1C1=C(O)C2(CCC(CC)(OC)CC2)NC1=O
• InChI: InChI=1S/C22H31NO3/c1-6-16-13-14(3)12-15(4)17(16)18-19(24)22(23-20(18)25)10-8-21(7-2,26-5)9-11-22/h12-13,24H,6-11H2,1-5H3,(H,23,25)
• InChIKey: KCZLDQPEJLOXGD-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.49
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?

The IUPAC name of 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CID 76853144) is 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one.

What is the SMILES notation for 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?

The canonical SMILES for 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one is CCc1cc(C)cc(C)c1C1=C(O)C2(CCC(CC)(OC)CC2)NC1=O.

What is the InChIKey of 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?

The InChIKey is KCZLDQPEJLOXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-6-16-13-14(3)12-15(4)17(16)18-19(24)22(23-20(18)25)10-8-21(7-2,26-5)9-11-22/h12-13,24H,6-11H2,1-5H3,(H,23,25).

What are the key properties of 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?

8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 357.49 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 76853144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).