2-bromo-N-methoxy-3-methylbutanamide

C6H12BrNO2 — CID 64974104

IUPAC2-bromo-N-methoxy-3-methylbutanamide
SMILESCONC(=O)C(Br)C(C)C
InChIInChI=1S/C6H12BrNO2/c1-4(2)5(7)6(9)8-10-3/h4-5H,1-3H3,(H,8,9)
InChIKeyHXSFBKMUKJAASY-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.08
Rot. Bonds3

About 2-bromo-N-methoxy-3-methylbutanamide

2-bromo-N-methoxy-3-methylbutanamide (PubChem CID 64974104) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-bromo-N-methoxy-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-methoxy-3-methylbutanamide
PubChem CID64974104
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC Name2-bromo-N-methoxy-3-methylbutanamide
SMILESCONC(=O)C(Br)C(C)C
InChIInChI=1S/C6H12BrNO2/c1-4(2)5(7)6(9)8-10-3/h4-5H,1-3H3,(H,8,9)
InChIKeyHXSFBKMUKJAASY-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methoxy-3-methylbutanamide?
The IUPAC name of 2-bromo-N-methoxy-3-methylbutanamide (CID 64974104) is 2-bromo-N-methoxy-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-methoxy-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-methoxy-3-methylbutanamide is CONC(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-N-methoxy-3-methylbutanamide?
The InChIKey is HXSFBKMUKJAASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2/c1-4(2)5(7)6(9)8-10-3/h4-5H,1-3H3,(H,8,9).
What are the key properties of 2-bromo-N-methoxy-3-methylbutanamide?
2-bromo-N-methoxy-3-methylbutanamide has a molecular weight of 210.07 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methoxy-3-methylbutanamide is sourced from PubChem (CID 64974104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).