2-bromo-2-methyl-N-propan-2-yloxypropanamide

C7H14BrNO2 — CID 131182028

IUPAC2-bromo-2-methyl-N-propan-2-yloxypropanamide
SMILESCC(C)ONC(=O)C(C)(C)Br
InChIInChI=1S/C7H14BrNO2/c1-5(2)11-9-6(10)7(3,4)8/h5H,1-4H3,(H,9,10)
InChIKeyPUMKQNKCRUMABO-UHFFFAOYSA-N
MW224.10 g/mol
LogP1.62
Rot. Bonds3

About 2-bromo-2-methyl-N-propan-2-yloxypropanamide

2-bromo-2-methyl-N-propan-2-yloxypropanamide (PubChem CID 131182028) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-propan-2-yloxypropanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-propan-2-yloxypropanamide
PubChem CID131182028
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC Name2-bromo-2-methyl-N-propan-2-yloxypropanamide
SMILESCC(C)ONC(=O)C(C)(C)Br
InChIInChI=1S/C7H14BrNO2/c1-5(2)11-9-6(10)7(3,4)8/h5H,1-4H3,(H,9,10)
InChIKeyPUMKQNKCRUMABO-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze 2-bromo-2-methyl-N-propan-2-yloxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-methoxy-2-methylpropanamide
CID 114328794
2-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)propanamide
CID 114329017
2-bromo-N-hydroxy-2-methylpropanamide
CID 89177142
2-bromo-N-ethoxy-2-methylpropanamide
CID 89867395
2-bromo-N-butoxy-2-methylpropanamide
CID 117718711
2-bromo-N-ethoxypropanamide
CID 107905352
2-bromo-N-(2-methylpropoxy)propanamide
CID 107905622
2-bromo-2-methyl-N-(2-methylpropoxy)propanamide
CID 114329016
2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide
CID 114329018
2-bromo-2-methyl-N-prop-2-ynoxypropanamide
CID 130627561
2-bromo-N-propan-2-yloxybutanamide
CID 131223155

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-propan-2-yloxypropanamide?
The IUPAC name of 2-bromo-2-methyl-N-propan-2-yloxypropanamide (CID 131182028) is 2-bromo-2-methyl-N-propan-2-yloxypropanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-propan-2-yloxypropanamide?
The canonical SMILES for 2-bromo-2-methyl-N-propan-2-yloxypropanamide is CC(C)ONC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-propan-2-yloxypropanamide?
The InChIKey is PUMKQNKCRUMABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2/c1-5(2)11-9-6(10)7(3,4)8/h5H,1-4H3,(H,9,10).
What are the key properties of 2-bromo-2-methyl-N-propan-2-yloxypropanamide?
2-bromo-2-methyl-N-propan-2-yloxypropanamide has a molecular weight of 224.10 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-propan-2-yloxypropanamide is sourced from PubChem (CID 131182028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).