methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate

C16H32N2O7Si2 — CID 175696779

IUPACmethyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)C(=O)OC
InChIInChI=1S/C16H32N2O7Si2/c1-23-15(21)13(19)17-9-7-11-26(3,4)25-27(5,6)12-8-10-18-14(20)16(22)24-2/h7-12H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyGLWQPGADPJMVGO-UHFFFAOYSA-N
MW420.61 g/mol
LogP0.77
Rot. Bonds10

About methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate

methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate (PubChem CID 175696779) has the molecular formula C16H32N2O7Si2 and a molecular weight of 420.61 g/mol. Its IUPAC name is methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate
PubChem CID175696779
Molecular FormulaC16H32N2O7Si2
Molecular Weight420.61 g/mol
Exact Mass420.17
IUPAC Namemethyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)C(=O)OC
InChIInChI=1S/C16H32N2O7Si2/c1-23-15(21)13(19)17-9-7-11-26(3,4)25-27(5,6)12-8-10-18-14(20)16(22)24-2/h7-12H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyGLWQPGADPJMVGO-UHFFFAOYSA-N
XLogP0.77
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.61
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate (CID 175696779) is methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate is COC(=O)C(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)C(=O)OC.
What is the InChIKey of methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate?
The InChIKey is GLWQPGADPJMVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O7Si2/c1-23-15(21)13(19)17-9-7-11-26(3,4)25-27(5,6)12-8-10-18-14(20)16(22)24-2/h7-12H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate?
methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate has a molecular weight of 420.61 g/mol, XLogP of 0.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate is sourced from PubChem (CID 175696779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).