2-(2-bromopropanoylamino)-N,2-dimethylpropanamide

C8H15BrN2O2 — CID 131054139

IUPAC2-(2-bromopropanoylamino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)NC(=O)C(C)Br
InChIInChI=1S/C8H15BrN2O2/c1-5(9)6(12)11-8(2,3)7(13)10-4/h5H,1-4H3,(H,10,13)(H,11,12)
InChIKeyGDMLBMKMNSNYOX-UHFFFAOYSA-N
MW251.12 g/mol
LogP0.41
Rot. Bonds3

About 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide

2-(2-bromopropanoylamino)-N,2-dimethylpropanamide (PubChem CID 131054139) has the molecular formula C8H15BrN2O2 and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-bromopropanoylamino)-N,2-dimethylpropanamide
PubChem CID131054139
Molecular FormulaC8H15BrN2O2
Molecular Weight251.12 g/mol
Exact Mass250.03
IUPAC Name2-(2-bromopropanoylamino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)NC(=O)C(C)Br
InChIInChI=1S/C8H15BrN2O2/c1-5(9)6(12)11-8(2,3)7(13)10-4/h5H,1-4H3,(H,10,13)(H,11,12)
InChIKeyGDMLBMKMNSNYOX-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide 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-(2-bromopropanoylamino)-2-methylpropanoic acid
CID 22253670
N,2-dimethyl-2-(propanoylamino)propanamide
CID 130249433
N,2-dimethyl-2-(methylamino)propanamide;hydrochloride
CID 75530899
2-(2-bromopropanoylamino)-N-methylpropanamide
CID 107904965
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 23422407
2-formamido-N,2-dimethylpropanamide
CID 88936933
2-[(2-chloroacetyl)carbamoylamino]-N,2-dimethylpropanamide
CID 130723536
ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
CID 142311120
(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid
CID 100958411
2-methyl-2-(2-sulfanylpropanoylamino)propanoic acid
CID 89140497
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide?
The IUPAC name of 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide (CID 131054139) is 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide is CNC(=O)C(C)(C)NC(=O)C(C)Br.
What is the InChIKey of 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide?
The InChIKey is GDMLBMKMNSNYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O2/c1-5(9)6(12)11-8(2,3)7(13)10-4/h5H,1-4H3,(H,10,13)(H,11,12).
What are the key properties of 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide?
2-(2-bromopropanoylamino)-N,2-dimethylpropanamide has a molecular weight of 251.12 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropanoylamino)-N,2-dimethylpropanamide is sourced from PubChem (CID 131054139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).