4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate

C30H41F3N2O7Si — CID 173253463

About 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate

4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate (PubChem CID 173253463) has the molecular formula C30H41F3N2O7Si and a molecular weight of 626.75 g/mol. Its IUPAC name is 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate.

Molecular Properties

• Compound Name: 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate
• PubChem CID: 173253463
• Molecular Formula: C30H41F3N2O7Si
• Molecular Weight: 626.75 g/mol
• Exact Mass: 626.26
• IUPAC Name: 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate
• SMILES: CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)NC(O[SiH](C)C)(C(C)C)C(C(C)(C)C)C(F)(F)F)c(=O)c1C(=O)OC
• InChI: InChI=1S/C30H41F3N2O7Si/c1-10-41-25(38)20-16-21(19-14-12-11-13-15-19)35(24(37)23(20)26(39)40-7)17-22(36)34-29(18(2)3,42-43(8)9)27(28(4,5)6)30(31,32)33/h11-16,18,27,43H,10,17H2,1-9H3,(H,34,36)
• InChIKey: VNZUOZCJTJJXCB-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 112.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.75
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate?

The IUPAC name of 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate (CID 173253463) is 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate.

What is the SMILES notation for 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate?

The canonical SMILES for 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate is CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)NC(O[SiH](C)C)(C(C)C)C(C(C)(C)C)C(F)(F)F)c(=O)c1C(=O)OC.

What is the InChIKey of 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate?

The InChIKey is VNZUOZCJTJJXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F3N2O7Si/c1-10-41-25(38)20-16-21(19-14-12-11-13-15-19)35(24(37)23(20)26(39)40-7)17-22(36)34-29(18(2)3,42-43(8)9)27(28(4,5)6)30(31,32)33/h11-16,18,27,43H,10,17H2,1-9H3,(H,34,36).

What are the key properties of 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate?

4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate has a molecular weight of 626.75 g/mol, XLogP of 5.17, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-ethyl 3-O-methyl 1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenylpyridine-3,4-dicarboxylate is sourced from PubChem (CID 173253463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).