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

C30H36F3N3O3 — CID 25226973

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

2-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 25226973) has the molecular formula C30H36F3N3O3 and a molecular weight of 543.63 g/mol. Its IUPAC name is 2-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
• PubChem CID: 25226973
• Molecular Formula: C30H36F3N3O3
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.27
• IUPAC Name: 2-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
• SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N(Cc2ccccc2C(F)(F)F)C2(CCCCC2)C1=O
• InChI: InChI=1S/C30H36F3N3O3/c1-19(2)22-12-10-13-23(20(3)4)26(22)34-25(37)18-35-27(38)29(15-8-5-9-16-29)36(28(35)39)17-21-11-6-7-14-24(21)30(31,32)33/h6-7,10-14,19-20H,5,8-9,15-18H2,1-4H3,(H,34,37)
• InChIKey: DKVJIAIFKUCHCU-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	7.06
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-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The IUPAC name of 2-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 25226973) is 2-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

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

The canonical SMILES for 2-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N(Cc2ccccc2C(F)(F)F)C2(CCCCC2)C1=O.

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

The InChIKey is DKVJIAIFKUCHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N3O3/c1-19(2)22-12-10-13-23(20(3)4)26(22)34-25(37)18-35-27(38)29(15-8-5-9-16-29)36(28(35)39)17-21-11-6-7-14-24(21)30(31,32)33/h6-7,10-14,19-20H,5,8-9,15-18H2,1-4H3,(H,34,37).

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

2-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 543.63 g/mol, XLogP of 7.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 25226973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).