2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide

C23H25BrN4O2 — CID 53029476

About 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide

2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 53029476) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide
• PubChem CID: 53029476
• Molecular Formula: C23H25BrN4O2
• Molecular Weight: 469.38 g/mol
• Exact Mass: 468.12
• IUPAC Name: 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide
• SMILES: Cc1ccc(C)c(NC(=O)CN2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c1
• InChI: InChI=1S/C23H25BrN4O2/c1-15-3-4-16(2)19(13-15)25-20(29)14-28-11-9-23(10-12-28)26-21(22(30)27-23)17-5-7-18(24)8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,25,29)(H,27,30)
• InChIKey: LGHXGHMGKNXTBE-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 73.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.38
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide?

The IUPAC name of 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide (CID 53029476) is 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide.

What is the SMILES notation for 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide?

The canonical SMILES for 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c1.

What is the InChIKey of 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide?

The InChIKey is LGHXGHMGKNXTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-15-3-4-16(2)19(13-15)25-20(29)14-28-11-9-23(10-12-28)26-21(22(30)27-23)17-5-7-18(24)8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,25,29)(H,27,30).

What are the key properties of 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide?

2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 469.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 53029476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).