N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide

C22H41NO3Si2 — CID 91743545

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H41NO3Si2/c1-17(24)23-16-20(26-28(10,11)22(5,6)7)18-12-14-19(15-13-18)25-27(8,9)21(2,3)4/h12-15,20H,16H2,1-11H3,(H,23,24)
InChIKeyIJYHLLWRPYQFJG-UHFFFAOYSA-N
MW423.75 g/mol
LogP6.27
Rot. Bonds7

About N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide (PubChem CID 91743545) has the molecular formula C22H41NO3Si2 and a molecular weight of 423.75 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide
PubChem CID91743545
Molecular FormulaC22H41NO3Si2
Molecular Weight423.75 g/mol
Exact Mass423.26
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H41NO3Si2/c1-17(24)23-16-20(26-28(10,11)22(5,6)7)18-12-14-19(15-13-18)25-27(8,9)21(2,3)4/h12-15,20H,16H2,1-11H3,(H,23,24)
InChIKeyIJYHLLWRPYQFJG-UHFFFAOYSA-N
XLogP6.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.75
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Acetyloctopamine
CID 193691
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]tetradecanamide
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Vitroprocine D
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Vitroprocine E
CID 156581196
Vitroprocine F
CID 156581197
Vitroprocine G
CID 156581198
N-(Trifluoroacetyl)-O,O',O''-tris(trimethylsilyl)norepinephrine
CID 553889
N-[2-[3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]ethyl]-2-propenamide
CID 167713619
Noradrenaline, N-HFB-O-TMS
CID 6427698
Bamethane, N-TFA-O-TMS
CID 6428500
Corbasil, N-TFA-O-TMS
CID 6428501
Hydroxyamphetamine, N-TFA-O-TMS
CID 6428504

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide (CID 91743545) is N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide is CC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide?
The InChIKey is IJYHLLWRPYQFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO3Si2/c1-17(24)23-16-20(26-28(10,11)22(5,6)7)18-12-14-19(15-13-18)25-27(8,9)21(2,3)4/h12-15,20H,16H2,1-11H3,(H,23,24).
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide?
N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide has a molecular weight of 423.75 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91743545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).