2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide

C9H18BrNO — CID 107905064

IUPAC2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C9H18BrNO/c1-7(10)8(12)11(5)6-9(2,3)4/h7H,6H2,1-5H3
InChIKeyOJAUYNYTQJZVAS-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.27
Rot. Bonds2

About 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide

2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide (PubChem CID 107905064) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide
PubChem CID107905064
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C9H18BrNO/c1-7(10)8(12)11(5)6-9(2,3)4/h7H,6H2,1-5H3
InChIKeyOJAUYNYTQJZVAS-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide?
The IUPAC name of 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide (CID 107905064) is 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide is CC(Br)C(=O)N(C)CC(C)(C)C.
What is the InChIKey of 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide?
The InChIKey is OJAUYNYTQJZVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-7(10)8(12)11(5)6-9(2,3)4/h7H,6H2,1-5H3.
What are the key properties of 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide?
2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide has a molecular weight of 236.15 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide is sourced from PubChem (CID 107905064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).