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

C24H28N4O2 — CID 53029473

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

N-(3,5-dimethylphenyl)-2-[3-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (PubChem CID 53029473) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[3-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-2-[3-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
• PubChem CID: 53029473
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: N-(3,5-dimethylphenyl)-2-[3-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
• SMILES: Cc1cc(C)cc(NC(=O)CN2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)c1
• InChI: InChI=1S/C24H28N4O2/c1-16-5-4-6-19(12-16)22-23(30)27-24(26-22)7-9-28(10-8-24)15-21(29)25-20-13-17(2)11-18(3)14-20/h4-6,11-14H,7-10,15H2,1-3H3,(H,25,29)(H,27,30)
• InChIKey: LICYJDUYAPHOGA-UHFFFAOYSA-N
• XLogP: 2.96
• 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	404.51
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (CID 53029473) is N-(3,5-dimethylphenyl)-2-[3-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.

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

The canonical SMILES for N-(3,5-dimethylphenyl)-2-[3-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is Cc1cc(C)cc(NC(=O)CN2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)c1.

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

The InChIKey is LICYJDUYAPHOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-5-4-6-19(12-16)22-23(30)27-24(26-22)7-9-28(10-8-24)15-21(29)25-20-13-17(2)11-18(3)14-20/h4-6,11-14H,7-10,15H2,1-3H3,(H,25,29)(H,27,30).

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

N-(3,5-dimethylphenyl)-2-[3-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-2-[3-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is sourced from PubChem (CID 53029473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).