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

C8H16BrNO2 — CID 82715559

IUPAC2-bromo-N-(2-methylpropoxy)butanamide
SMILESCCC(Br)C(=O)NOCC(C)C
InChIInChI=1S/C8H16BrNO2/c1-4-7(9)8(11)10-12-5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyDEXFDKFWWCMWHY-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.86
Rot. Bonds5

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

2-bromo-N-(2-methylpropoxy)butanamide (PubChem CID 82715559) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpropoxy)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylpropoxy)butanamide
PubChem CID82715559
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name2-bromo-N-(2-methylpropoxy)butanamide
SMILESCCC(Br)C(=O)NOCC(C)C
InChIInChI=1S/C8H16BrNO2/c1-4-7(9)8(11)10-12-5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyDEXFDKFWWCMWHY-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.86
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-(2-methylpropoxy)butanamide?
The IUPAC name of 2-bromo-N-(2-methylpropoxy)butanamide (CID 82715559) is 2-bromo-N-(2-methylpropoxy)butanamide.
What is the SMILES notation for 2-bromo-N-(2-methylpropoxy)butanamide?
The canonical SMILES for 2-bromo-N-(2-methylpropoxy)butanamide is CCC(Br)C(=O)NOCC(C)C.
What is the InChIKey of 2-bromo-N-(2-methylpropoxy)butanamide?
The InChIKey is DEXFDKFWWCMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2/c1-4-7(9)8(11)10-12-5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-bromo-N-(2-methylpropoxy)butanamide?
2-bromo-N-(2-methylpropoxy)butanamide has a molecular weight of 238.12 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylpropoxy)butanamide is sourced from PubChem (CID 82715559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).