2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide

C34H57Br3N2O4Si2 — CID 159235201

IUPAC2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
SMILESCC(=O)N(CCO[Si](C)(C)C(C)(C)C)c1cccc(Br)c1C.CC(=O)Nc1cccc(Br)c1C.CC(C)(C)[Si](C)(C)OCCBr
InChIInChI=1S/C17H28BrNO2Si.C9H10BrNO.C8H19BrOSi/c1-13-15(18)9-8-10-16(13)19(14(2)20)11-12-21-22(6,7)17(3,4)5;1-6-8(10)4-3-5-9(6)11-7(2)12;1-8(2,3)11(4,5)10-7-6-9/h8-10H,11-12H2,1-7H3;3-5H,1-2H3,(H,11,12);6-7H2,1-5H3
InChIKeyKTJPXGURFDSPCM-UHFFFAOYSA-N
MW853.72 g/mol
LogP11.25
Rot. Bonds9

About 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide

2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide (PubChem CID 159235201) has the molecular formula C34H57Br3N2O4Si2 and a molecular weight of 853.72 g/mol. Its IUPAC name is 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide.

Molecular Properties

Compound Name2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
PubChem CID159235201
Molecular FormulaC34H57Br3N2O4Si2
Molecular Weight853.72 g/mol
Exact Mass850.14
IUPAC Name2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
SMILESCC(=O)N(CCO[Si](C)(C)C(C)(C)C)c1cccc(Br)c1C.CC(=O)Nc1cccc(Br)c1C.CC(C)(C)[Si](C)(C)OCCBr
InChIInChI=1S/C17H28BrNO2Si.C9H10BrNO.C8H19BrOSi/c1-13-15(18)9-8-10-16(13)19(14(2)20)11-12-21-22(6,7)17(3,4)5;1-6-8(10)4-3-5-9(6)11-7(2)12;1-8(2,3)11(4,5)10-7-6-9/h8-10H,11-12H2,1-7H3;3-5H,1-2H3,(H,11,12);6-7H2,1-5H3
InChIKeyKTJPXGURFDSPCM-UHFFFAOYSA-N
XLogP11.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.72
LogP ≤ 511.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide?
The IUPAC name of 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide (CID 159235201) is 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide.
What is the SMILES notation for 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide?
The canonical SMILES for 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide is CC(=O)N(CCO[Si](C)(C)C(C)(C)C)c1cccc(Br)c1C.CC(=O)Nc1cccc(Br)c1C.CC(C)(C)[Si](C)(C)OCCBr.
What is the InChIKey of 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide?
The InChIKey is KTJPXGURFDSPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2Si.C9H10BrNO.C8H19BrOSi/c1-13-15(18)9-8-10-16(13)19(14(2)20)11-12-21-22(6,7)17(3,4)5;1-6-8(10)4-3-5-9(6)11-7(2)12;1-8(2,3)11(4,5)10-7-6-9/h8-10H,11-12H2,1-7H3;3-5H,1-2H3,(H,11,12);6-7H2,1-5H3.
What are the key properties of 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide?
2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide has a molecular weight of 853.72 g/mol, XLogP of 11.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethoxy-tert-butyl-dimethylsilane;N-(3-bromo-2-methylphenyl)acetamide;N-(3-bromo-2-methylphenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide is sourced from PubChem (CID 159235201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).