N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide

C30H46F3N3O3Si — CID 173250234

About N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide

N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide (PubChem CID 173250234) has the molecular formula C30H46F3N3O3Si and a molecular weight of 581.80 g/mol. Its IUPAC name is N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide
• PubChem CID: 173250234
• Molecular Formula: C30H46F3N3O3Si
• Molecular Weight: 581.80 g/mol
• Exact Mass: 581.33
• IUPAC Name: N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide
• SMILES: CCCCCNc1ccc(-c2ccccc2)n(CC(=O)NC(O[SiH](C)C)(C(C)C)C(C(C)(C)C)C(F)(F)F)c1=O
• InChI: InChI=1S/C30H46F3N3O3Si/c1-9-10-14-19-34-23-17-18-24(22-15-12-11-13-16-22)36(26(23)38)20-25(37)35-29(21(2)3,39-40(7)8)27(28(4,5)6)30(31,32)33/h11-13,15-18,21,27,34,40H,9-10,14,19-20H2,1-8H3,(H,35,37)
• InChIKey: DZBKUJMMJMOXQF-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 72.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.80
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide?

The IUPAC name of N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide (CID 173250234) is N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide.

What is the SMILES notation for N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide?

The canonical SMILES for N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide is CCCCCNc1ccc(-c2ccccc2)n(CC(=O)NC(O[SiH](C)C)(C(C)C)C(C(C)(C)C)C(F)(F)F)c1=O.

What is the InChIKey of N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide?

The InChIKey is DZBKUJMMJMOXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46F3N3O3Si/c1-9-10-14-19-34-23-17-18-24(22-15-12-11-13-16-22)36(26(23)38)20-25(37)35-29(21(2)3,39-40(7)8)27(28(4,5)6)30(31,32)33/h11-13,15-18,21,27,34,40H,9-10,14,19-20H2,1-8H3,(H,35,37).

What are the key properties of N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide?

N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide has a molecular weight of 581.80 g/mol, XLogP of 6.81, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide is sourced from PubChem (CID 173250234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).