2-bromo-N-(2-methoxyethoxy)butanamide

C7H14BrNO3 — CID 82715226

IUPAC2-bromo-N-(2-methoxyethoxy)butanamide
SMILESCCC(Br)C(=O)NOCCOC
InChIInChI=1S/C7H14BrNO3/c1-3-6(8)7(10)9-12-5-4-11-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeySFCDPZAWOZKZTH-UHFFFAOYSA-N
MW240.10 g/mol
LogP0.85
Rot. Bonds6

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

2-bromo-N-(2-methoxyethoxy)butanamide (PubChem CID 82715226) has the molecular formula C7H14BrNO3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethoxy)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethoxy)butanamide
PubChem CID82715226
Molecular FormulaC7H14BrNO3
Molecular Weight240.10 g/mol
Exact Mass239.02
IUPAC Name2-bromo-N-(2-methoxyethoxy)butanamide
SMILESCCC(Br)C(=O)NOCCOC
InChIInChI=1S/C7H14BrNO3/c1-3-6(8)7(10)9-12-5-4-11-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeySFCDPZAWOZKZTH-UHFFFAOYSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 50.85
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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Related Compounds

N-methoxy-2,4-dibromobutyric acid amide
CID 14370687
N-ethoxy-2,4-dibromobutyric acid amide
CID 86632273
2-bromo-N-butoxybutanamide
CID 89114409
4-bromo-N-methoxybutanamide
CID 90074181
2-bromo-N-hydroxybutanamide
CID 63664226
2-bromo-N-ethoxy-3-methylbutanamide
CID 64973964
2-bromo-N-methoxybutanamide
CID 64974103
2-bromo-N-ethoxybutanamide
CID 64974174
2-bromo-N-(2-methoxyethoxy)-3-methylbutanamide
CID 82714895
2-bromo-N-(2-methoxyethoxy)acetamide
CID 82715006
3-bromo-N-(2-methoxyethoxy)propanamide
CID 104191891
2-bromo-N-ethoxypropanamide
CID 107905352

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethoxy)butanamide?
The IUPAC name of 2-bromo-N-(2-methoxyethoxy)butanamide (CID 82715226) is 2-bromo-N-(2-methoxyethoxy)butanamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethoxy)butanamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethoxy)butanamide is CCC(Br)C(=O)NOCCOC.
What is the InChIKey of 2-bromo-N-(2-methoxyethoxy)butanamide?
The InChIKey is SFCDPZAWOZKZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO3/c1-3-6(8)7(10)9-12-5-4-11-2/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-bromo-N-(2-methoxyethoxy)butanamide?
2-bromo-N-(2-methoxyethoxy)butanamide has a molecular weight of 240.10 g/mol, XLogP of 0.85, 6 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)butanamide is sourced from PubChem (CID 82715226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).