N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C30H36F3N3O3 — CID 25226229

About N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 25226229) has the molecular formula C30H36F3N3O3 and a molecular weight of 543.63 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 25226229
• Molecular Formula: C30H36F3N3O3
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.27
• IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: Cc1ccc(N2C(=O)N(CC(=O)Nc3c(C(C)C)cccc3C(C)C)C(=O)C23CCCCC3)cc1C(F)(F)F
• InChI: InChI=1S/C30H36F3N3O3/c1-18(2)22-10-9-11-23(19(3)4)26(22)34-25(37)17-35-27(38)29(14-7-6-8-15-29)36(28(35)39)21-13-12-20(5)24(16-21)30(31,32)33/h9-13,16,18-19H,6-8,14-15,17H2,1-5H3,(H,34,37)
• InChIKey: LUFYYMFAWYDMLA-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	7.37
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 N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 25226229) is N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is Cc1ccc(N2C(=O)N(CC(=O)Nc3c(C(C)C)cccc3C(C)C)C(=O)C23CCCCC3)cc1C(F)(F)F.

What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is LUFYYMFAWYDMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N3O3/c1-18(2)22-10-9-11-23(19(3)4)26(22)34-25(37)17-35-27(38)29(14-7-6-8-15-29)36(28(35)39)21-13-12-20(5)24(16-21)30(31,32)33/h9-13,16,18-19H,6-8,14-15,17H2,1-5H3,(H,34,37).

What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 543.63 g/mol, XLogP of 7.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-di(propan-2-yl)phenyl]-2-[1-[4-methyl-3-(trifluoromethyl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 25226229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).