2-bromo-N-tert-butyl-N,2-dimethylpropanamide

C9H18BrNO — CID 54477333

IUPAC2-bromo-N-tert-butyl-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)Br)C(C)(C)C
InChIInChI=1S/C9H18BrNO/c1-8(2,3)11(6)7(12)9(4,5)10/h1-6H3
InChIKeyXMMZSAJQNDLCKW-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.42
Rot. Bonds1

About 2-bromo-N-tert-butyl-N,2-dimethylpropanamide

2-bromo-N-tert-butyl-N,2-dimethylpropanamide (PubChem CID 54477333) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-bromo-N-tert-butyl-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-bromo-N-tert-butyl-N,2-dimethylpropanamide
PubChem CID54477333
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name2-bromo-N-tert-butyl-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)Br)C(C)(C)C
InChIInChI=1S/C9H18BrNO/c1-8(2,3)11(6)7(12)9(4,5)10/h1-6H3
InChIKeyXMMZSAJQNDLCKW-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propanamide, N,N-dibutyl-2-bromo-
CID 533067
2,2-dibromo-N,N-diisopropylpropanamide
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CID 219917
2-bromo-N-butan-2-yl-N-butylpropanamide
CID 107904356
2-Bromo-n,n-dipropylpropanamide
CID 225551
N-tert-butyl-N-methylpropanamide
CID 23525716
2-bromo-N,N-dibutyl-2-methylpropanamide
CID 82108738
2-Bromo-N,N-diethyl-2-methylpropionamide
CID 82286827
2-bromo-N-(2,2-dimethylpropyl)-N-methylpropanamide
CID 107905064
2-Bromo-n,n-di(propan-2-yl)propanamide
CID 220798
2-bromo-N-tert-butyl-N-methylpropanamide
CID 15829371
2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide
CID 63964443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-tert-butyl-N,2-dimethylpropanamide?
The IUPAC name of 2-bromo-N-tert-butyl-N,2-dimethylpropanamide (CID 54477333) is 2-bromo-N-tert-butyl-N,2-dimethylpropanamide.
What is the SMILES notation for 2-bromo-N-tert-butyl-N,2-dimethylpropanamide?
The canonical SMILES for 2-bromo-N-tert-butyl-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)Br)C(C)(C)C.
What is the InChIKey of 2-bromo-N-tert-butyl-N,2-dimethylpropanamide?
The InChIKey is XMMZSAJQNDLCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-8(2,3)11(6)7(12)9(4,5)10/h1-6H3.
What are the key properties of 2-bromo-N-tert-butyl-N,2-dimethylpropanamide?
2-bromo-N-tert-butyl-N,2-dimethylpropanamide has a molecular weight of 236.15 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-tert-butyl-N,2-dimethylpropanamide is sourced from PubChem (CID 54477333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).