2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide

C28H33F2N3O3 — CID 143771874

About 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide

2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide (PubChem CID 143771874) has the molecular formula C28H33F2N3O3 and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide
• PubChem CID: 143771874
• Molecular Formula: C28H33F2N3O3
• Molecular Weight: 497.59 g/mol
• Exact Mass: 497.25
• IUPAC Name: 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide
• SMILES: CCc1ccc(C(C)C)c(NC(=O)CN2C(=O)N(c3cc(F)c(C)c(F)c3)C3(CCCCC3)C2=O)c1
• InChI: InChI=1S/C28H33F2N3O3/c1-5-19-9-10-21(17(2)3)24(13-19)31-25(34)16-32-26(35)28(11-7-6-8-12-28)33(27(32)36)20-14-22(29)18(4)23(30)15-20/h9-10,13-15,17H,5-8,11-12,16H2,1-4H3,(H,31,34)
• InChIKey: COHGVKQAVWRORD-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.59
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide (CID 143771874) is 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide is CCc1ccc(C(C)C)c(NC(=O)CN2C(=O)N(c3cc(F)c(C)c(F)c3)C3(CCCCC3)C2=O)c1.

What is the InChIKey of 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide?

The InChIKey is COHGVKQAVWRORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N3O3/c1-5-19-9-10-21(17(2)3)24(13-19)31-25(34)16-32-26(35)28(11-7-6-8-12-28)33(27(32)36)20-14-22(29)18(4)23(30)15-20/h9-10,13-15,17H,5-8,11-12,16H2,1-4H3,(H,31,34).

What are the key properties of 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide?

2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide has a molecular weight of 497.59 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3,5-difluoro-4-methylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-ethyl-2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 143771874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).