2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide

C14H32BrNO7Si2 — CID 168863060

IUPAC2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
SMILESCO[Si](CCCN(CCC[Si](OC)(OC)OC)C(=O)CBr)(OC)OC
InChIInChI=1S/C14H32BrNO7Si2/c1-18-24(19-2,20-3)11-7-9-16(14(17)13-15)10-8-12-25(21-4,22-5)23-6/h7-13H2,1-6H3
InChIKeyKUQZIJOXZLHJTB-UHFFFAOYSA-N
MW462.49 g/mol
LogP1.75
Rot. Bonds15

About 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide

2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide (PubChem CID 168863060) has the molecular formula C14H32BrNO7Si2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
PubChem CID168863060
Molecular FormulaC14H32BrNO7Si2
Molecular Weight462.49 g/mol
Exact Mass461.09
IUPAC Name2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
SMILESCO[Si](CCCN(CCC[Si](OC)(OC)OC)C(=O)CBr)(OC)OC
InChIInChI=1S/C14H32BrNO7Si2/c1-18-24(19-2,20-3)11-7-9-16(14(17)13-15)10-8-12-25(21-4,22-5)23-6/h7-13H2,1-6H3
InChIKeyKUQZIJOXZLHJTB-UHFFFAOYSA-N
XLogP1.75
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide
CID 176815905
2-hydroxy-N,N-bis(3-trimethoxysilylpropyl)propanamide
CID 140720922
2-methanidyloxyacetic acid;2-methanidyloxy-N,N-bis(3-trimethoxysilylpropyl)acetamide;bis(rutherfordium)
CID 157219113
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
CID 131883983
CID 131883983
2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 71445465
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate
CID 90475505
ethyl N,N-bis[3-tris(trimethoxysilyloxy)silylpropyl]carbamate
CID 167678976
N-methanidyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propanamide;rutherfordium
CID 162464001

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide?
The IUPAC name of 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide (CID 168863060) is 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide.
What is the SMILES notation for 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide?
The canonical SMILES for 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide is CO[Si](CCCN(CCC[Si](OC)(OC)OC)C(=O)CBr)(OC)OC.
What is the InChIKey of 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide?
The InChIKey is KUQZIJOXZLHJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32BrNO7Si2/c1-18-24(19-2,20-3)11-7-9-16(14(17)13-15)10-8-12-25(21-4,22-5)23-6/h7-13H2,1-6H3.
What are the key properties of 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide?
2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide has a molecular weight of 462.49 g/mol, XLogP of 1.75, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide is sourced from PubChem (CID 168863060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).