2-bromo-N-propan-2-yloxybutanamide

C7H14BrNO2 — CID 131223155

IUPAC2-bromo-N-propan-2-yloxybutanamide
SMILESCCC(Br)C(=O)NOC(C)C
InChIInChI=1S/C7H14BrNO2/c1-4-6(8)7(10)9-11-5(2)3/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyHUGOABKJCWUDLH-UHFFFAOYSA-N
MW224.10 g/mol
LogP1.62
Rot. Bonds4

About 2-bromo-N-propan-2-yloxybutanamide

2-bromo-N-propan-2-yloxybutanamide (PubChem CID 131223155) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-bromo-N-propan-2-yloxybutanamide.

Molecular Properties

Compound Name2-bromo-N-propan-2-yloxybutanamide
PubChem CID131223155
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC Name2-bromo-N-propan-2-yloxybutanamide
SMILESCCC(Br)C(=O)NOC(C)C
InChIInChI=1S/C7H14BrNO2/c1-4-6(8)7(10)9-11-5(2)3/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyHUGOABKJCWUDLH-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 51.62
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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Related Compounds

2-bromo-N-(2,2,2-trifluoroethoxy)butanamide
CID 82714549
N-methoxy-2,4-dibromobutyric acid amide
CID 14370687
N-ethoxy-2,4-dibromobutyric acid amide
CID 86632273
2-bromo-N-methoxypropanamide
CID 88350318
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-methoxy-3-methylbutanamide
CID 64974104
2-bromo-N-ethoxybutanamide
CID 64974174
2-bromo-N-(2-methoxyethoxy)butanamide
CID 82715226

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-propan-2-yloxybutanamide?
The IUPAC name of 2-bromo-N-propan-2-yloxybutanamide (CID 131223155) is 2-bromo-N-propan-2-yloxybutanamide.
What is the SMILES notation for 2-bromo-N-propan-2-yloxybutanamide?
The canonical SMILES for 2-bromo-N-propan-2-yloxybutanamide is CCC(Br)C(=O)NOC(C)C.
What is the InChIKey of 2-bromo-N-propan-2-yloxybutanamide?
The InChIKey is HUGOABKJCWUDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2/c1-4-6(8)7(10)9-11-5(2)3/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of 2-bromo-N-propan-2-yloxybutanamide?
2-bromo-N-propan-2-yloxybutanamide has a molecular weight of 224.10 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-propan-2-yloxybutanamide is sourced from PubChem (CID 131223155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).