diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate

C23H37NO6Si — CID 139768355

IUPACdiethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate
SMILESCCOC(=O)C(CCc1ccc(OCCC[Si](C)(C)C)cc1)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C23H37NO6Si/c1-7-28-21(26)23(24-18(3)25,22(27)29-8-2)15-14-19-10-12-20(13-11-19)30-16-9-17-31(4,5)6/h10-13H,7-9,14-17H2,1-6H3,(H,24,25)
InChIKeyGZIFKNCYGSZSHF-UHFFFAOYSA-N
MW451.64 g/mol
LogP3.73
Rot. Bonds13

About diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate

diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate (PubChem CID 139768355) has the molecular formula C23H37NO6Si and a molecular weight of 451.64 g/mol. Its IUPAC name is diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate
PubChem CID139768355
Molecular FormulaC23H37NO6Si
Molecular Weight451.64 g/mol
Exact Mass451.24
IUPAC Namediethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate
SMILESCCOC(=O)C(CCc1ccc(OCCC[Si](C)(C)C)cc1)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C23H37NO6Si/c1-7-28-21(26)23(24-18(3)25,22(27)29-8-2)15-14-19-10-12-20(13-11-19)30-16-9-17-31(4,5)6/h10-13H,7-9,14-17H2,1-6H3,(H,24,25)
InChIKeyGZIFKNCYGSZSHF-UHFFFAOYSA-N
XLogP3.73
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-acetamido-2-[2-[4-(7-trimethylsilylheptoxy)phenyl]ethyl]propanedioate
CID 139768327
diethyl 2-acetamido-2-[2-[4-[4-[dimethyl(phenyl)silyl]butoxy]phenyl]ethyl]propanedioate
CID 139768269
diethyl 2-acetamido-2-[2-(4-sulfanylphenyl)ethyl]propanedioate
CID 10807990
diethyl 2-acetamido-2-[2-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenoxy]phenyl]ethyl]propanedioate
CID 71204359
diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate
CID 139768392
diethyl 2-acetamido-2-[2-[4-[4-(2-butanoyloxyacetyl)phenoxy]phenyl]ethyl]propanedioate
CID 71204378
ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)heptanoate
CID 22618779
diethyl 2-acetamido-2-[2-[4-[4-(2-propanoyloxyacetyl)phenyl]sulfanylphenyl]ethyl]propanedioate
CID 71204388
ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate
CID 146168916
diethyl 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate
CID 10812754
ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-[(methoxycarbonylamino)methyl]pentanoate
CID 139719762
diethyl 2-acetamido-2-[2-[4-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]sulfanylphenyl]ethyl]propanedioate
CID 71204335

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate?
The IUPAC name of diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate (CID 139768355) is diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate is CCOC(=O)C(CCc1ccc(OCCC[Si](C)(C)C)cc1)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate?
The InChIKey is GZIFKNCYGSZSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO6Si/c1-7-28-21(26)23(24-18(3)25,22(27)29-8-2)15-14-19-10-12-20(13-11-19)30-16-9-17-31(4,5)6/h10-13H,7-9,14-17H2,1-6H3,(H,24,25).
What are the key properties of diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate?
diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate has a molecular weight of 451.64 g/mol, XLogP of 3.73, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate is sourced from PubChem (CID 139768355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).