2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide

C10H22BrNO4Si — CID 71445465

IUPAC2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide
SMILESCO[Si](CCCN(C)C(=O)C(C)Br)(OC)OC
InChIInChI=1S/C10H22BrNO4Si/c1-9(11)10(13)12(2)7-6-8-17(14-3,15-4)16-5/h9H,6-8H2,1-5H3
InChIKeyQERNXBXGCHBZSV-UHFFFAOYSA-N
MW328.28 g/mol
LogP1.50
Rot. Bonds8

About 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide

2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide (PubChem CID 71445465) has the molecular formula C10H22BrNO4Si and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide
PubChem CID71445465
Molecular FormulaC10H22BrNO4Si
Molecular Weight328.28 g/mol
Exact Mass327.05
IUPAC Name2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide
SMILESCO[Si](CCCN(C)C(=O)C(C)Br)(OC)OC
InChIInChI=1S/C10H22BrNO4Si/c1-9(11)10(13)12(2)7-6-8-17(14-3,15-4)16-5/h9H,6-8H2,1-5H3
InChIKeyQERNXBXGCHBZSV-UHFFFAOYSA-N
XLogP1.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
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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Related Compounds

methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
2-hydroxy-N,N-bis(3-trimethoxysilylpropyl)propanamide
CID 140720922
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
CID 168863060
N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
CID 141245028
2-bromo-N-methyl-N-(2-methylpropyl)propanamide
CID 107903182
[3-[butyl(methyl)amino]-2-hydroxy-3-oxopropyl] 5-trimethoxysilylpentanoate
CID 163473866
3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide
CID 176815905
CID 131883983
CID 131883983
1-N',1-N'-bis(3-trimethoxysilylpropyl)ethane-1,1-diamine
CID 141251995
amino-hydroxy-oxoazanium;N,N-dimethyl-3-trimethoxysilylpropan-1-amine
CID 174780413
trisodium;N-carboxylato-N-[2-[carboxylato(3-trimethoxysilylpropyl)amino]ethyl]carbamate
CID 90475505

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide?
The IUPAC name of 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide (CID 71445465) is 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide?
The canonical SMILES for 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide is CO[Si](CCCN(C)C(=O)C(C)Br)(OC)OC.
What is the InChIKey of 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide?
The InChIKey is QERNXBXGCHBZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO4Si/c1-9(11)10(13)12(2)7-6-8-17(14-3,15-4)16-5/h9H,6-8H2,1-5H3.
What are the key properties of 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide?
2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide has a molecular weight of 328.28 g/mol, XLogP of 1.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide is sourced from PubChem (CID 71445465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).