methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate

C28H38F3N3O6Si — CID 11758245

IUPACmethyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O
InChIInChI=1S/C28H38F3N3O6Si/c1-17(2)22(23(28(29,30)31)40-41(7,8)27(3,4)5)33-21(35)16-34-20(18-12-10-9-11-13-18)15-14-19(25(34)37)32-24(36)26(38)39-6/h9-15,17,22-23H,16H2,1-8H3,(H,32,36)(H,33,35)
InChIKeyBKMSMQHECWPFNT-UHFFFAOYSA-N
MW597.71 g/mol
LogP4.72
Rot. Bonds9

About methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate

methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate (PubChem CID 11758245) has the molecular formula C28H38F3N3O6Si and a molecular weight of 597.71 g/mol. Its IUPAC name is methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate
PubChem CID11758245
Molecular FormulaC28H38F3N3O6Si
Molecular Weight597.71 g/mol
Exact Mass597.25
IUPAC Namemethyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O
InChIInChI=1S/C28H38F3N3O6Si/c1-17(2)22(23(28(29,30)31)40-41(7,8)27(3,4)5)33-21(35)16-34-20(18-12-10-9-11-13-18)15-14-19(25(34)37)32-24(36)26(38)39-6/h9-15,17,22-23H,16H2,1-8H3,(H,32,36)(H,33,35)
InChIKeyBKMSMQHECWPFNT-UHFFFAOYSA-N
XLogP4.72
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.71
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate?
The IUPAC name of methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate (CID 11758245) is methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate is COC(=O)C(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O.
What is the InChIKey of methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate?
The InChIKey is BKMSMQHECWPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F3N3O6Si/c1-17(2)22(23(28(29,30)31)40-41(7,8)27(3,4)5)33-21(35)16-34-20(18-12-10-9-11-13-18)15-14-19(25(34)37)32-24(36)26(38)39-6/h9-15,17,22-23H,16H2,1-8H3,(H,32,36)(H,33,35).
What are the key properties of methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate?
methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate has a molecular weight of 597.71 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoacetate is sourced from PubChem (CID 11758245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).