2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide

C22H23ClN4O3 — CID 20962326

About 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide

2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 20962326) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide
• PubChem CID: 20962326
• Molecular Formula: C22H23ClN4O3
• Molecular Weight: 426.90 g/mol
• Exact Mass: 426.15
• IUPAC Name: 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide
• SMILES: COc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(Cl)cc2)C(=O)N3)c1
• InChI: InChI=1S/C22H23ClN4O3/c1-30-18-4-2-3-17(13-18)24-19(28)14-27-11-9-22(10-12-27)25-20(21(29)26-22)15-5-7-16(23)8-6-15/h2-8,13H,9-12,14H2,1H3,(H,24,28)(H,26,29)
• InChIKey: JMCDOVBMWYNXGJ-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 83.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.90
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide?

The IUPAC name of 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide (CID 20962326) is 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide?

The canonical SMILES for 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(Cl)cc2)C(=O)N3)c1.

What is the InChIKey of 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide?

The InChIKey is JMCDOVBMWYNXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-30-18-4-2-3-17(13-18)24-19(28)14-27-11-9-22(10-12-27)25-20(21(29)26-22)15-5-7-16(23)8-6-15/h2-8,13H,9-12,14H2,1H3,(H,24,28)(H,26,29).

What are the key properties of 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide?

2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 426.90 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 20962326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).