2-bromo-N-(2-methoxyethoxy)propanamide

C6H12BrNO3 — CID 107905624

IUPAC2-bromo-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)C(C)Br
InChIInChI=1S/C6H12BrNO3/c1-5(7)6(9)8-11-4-3-10-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyYCZBFGGPDVOWHP-UHFFFAOYSA-N
MW226.07 g/mol
LogP0.46
Rot. Bonds5

About 2-bromo-N-(2-methoxyethoxy)propanamide

2-bromo-N-(2-methoxyethoxy)propanamide (PubChem CID 107905624) has the molecular formula C6H12BrNO3 and a molecular weight of 226.07 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethoxy)propanamide
PubChem CID107905624
Molecular FormulaC6H12BrNO3
Molecular Weight226.07 g/mol
Exact Mass225.00
IUPAC Name2-bromo-N-(2-methoxyethoxy)propanamide
SMILESCOCCONC(=O)C(C)Br
InChIInChI=1S/C6H12BrNO3/c1-5(7)6(9)8-11-4-3-10-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyYCZBFGGPDVOWHP-UHFFFAOYSA-N
XLogP0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethoxy)propanamide?
The IUPAC name of 2-bromo-N-(2-methoxyethoxy)propanamide (CID 107905624) is 2-bromo-N-(2-methoxyethoxy)propanamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethoxy)propanamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethoxy)propanamide is COCCONC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-(2-methoxyethoxy)propanamide?
The InChIKey is YCZBFGGPDVOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO3/c1-5(7)6(9)8-11-4-3-10-2/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-bromo-N-(2-methoxyethoxy)propanamide?
2-bromo-N-(2-methoxyethoxy)propanamide has a molecular weight of 226.07 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 107905624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).