2-bromo-3-methyl-N-(2-methylpropoxy)butanamide

C9H18BrNO2 — CID 82715224

IUPAC2-bromo-3-methyl-N-(2-methylpropoxy)butanamide
SMILESCC(C)CONC(=O)C(Br)C(C)C
InChIInChI=1S/C9H18BrNO2/c1-6(2)5-13-11-9(12)8(10)7(3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyOEVJJAXJMXPJOK-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.11
Rot. Bonds5

About 2-bromo-3-methyl-N-(2-methylpropoxy)butanamide

2-bromo-3-methyl-N-(2-methylpropoxy)butanamide (PubChem CID 82715224) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(2-methylpropoxy)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(2-methylpropoxy)butanamide
PubChem CID82715224
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name2-bromo-3-methyl-N-(2-methylpropoxy)butanamide
SMILESCC(C)CONC(=O)C(Br)C(C)C
InChIInChI=1S/C9H18BrNO2/c1-6(2)5-13-11-9(12)8(10)7(3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyOEVJJAXJMXPJOK-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.11
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-3-methyl-N-(2-methylpropoxy)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(2-methylpropoxy)butanamide (CID 82715224) is 2-bromo-3-methyl-N-(2-methylpropoxy)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(2-methylpropoxy)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(2-methylpropoxy)butanamide is CC(C)CONC(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-3-methyl-N-(2-methylpropoxy)butanamide?
The InChIKey is OEVJJAXJMXPJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-6(2)5-13-11-9(12)8(10)7(3)4/h6-8H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-bromo-3-methyl-N-(2-methylpropoxy)butanamide?
2-bromo-3-methyl-N-(2-methylpropoxy)butanamide has a molecular weight of 252.15 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(2-methylpropoxy)butanamide is sourced from PubChem (CID 82715224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).