2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide

C10H21BrN2O2 — CID 106146098

IUPAC2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide
SMILESCN(C)CC(C)(O)CNC(=O)C(C)(C)Br
InChIInChI=1S/C10H21BrN2O2/c1-9(2,11)8(14)12-6-10(3,15)7-13(4)5/h15H,6-7H2,1-5H3,(H,12,14)
InChIKeyGASRGPLPQCFYAQ-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.59
Rot. Bonds5

About 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide

2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide (PubChem CID 106146098) has the molecular formula C10H21BrN2O2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide
PubChem CID106146098
Molecular FormulaC10H21BrN2O2
Molecular Weight281.19 g/mol
Exact Mass280.08
IUPAC Name2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide
SMILESCN(C)CC(C)(O)CNC(=O)C(C)(C)Br
InChIInChI=1S/C10H21BrN2O2/c1-9(2,11)8(14)12-6-10(3,15)7-13(4)5/h15H,6-7H2,1-5H3,(H,12,14)
InChIKeyGASRGPLPQCFYAQ-UHFFFAOYSA-N
XLogP0.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide 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

4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 103839927
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 113322191
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3,4,4-trimethylpentanamide
CID 113322168
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide
CID 110008146
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-pyridin-4-ylacetamide
CID 103960990
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide
CID 103839882
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylpentanamide
CID 103525819

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide (CID 106146098) is 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide is CN(C)CC(C)(O)CNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide?
The InChIKey is GASRGPLPQCFYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O2/c1-9(2,11)8(14)12-6-10(3,15)7-13(4)5/h15H,6-7H2,1-5H3,(H,12,14).
What are the key properties of 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide?
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide has a molecular weight of 281.19 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide is sourced from PubChem (CID 106146098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).