2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide

C6H12BrNO2 — CID 51711451

IUPAC2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCCO
InChIInChI=1S/C6H12BrNO2/c1-6(2,7)5(10)8-3-4-9/h9H,3-4H2,1-2H3,(H,8,10)
InChIKeyIGUSHHZJVJZBSS-UHFFFAOYSA-N
MW210.07 g/mol
LogP0.27
Rot. Bonds3

About 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide

2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide (PubChem CID 51711451) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
PubChem CID51711451
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC Name2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCCO
InChIInChI=1S/C6H12BrNO2/c1-6(2,7)5(10)8-3-4-9/h9H,3-4H2,1-2H3,(H,8,10)
InChIKeyIGUSHHZJVJZBSS-UHFFFAOYSA-N
XLogP0.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
CID 102380329
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
CID 21330073
2-bromo-N-but-3-ynyl-2-methylpropanamide
CID 114328738
2-bromo-N-but-3-enyl-2-methylpropanamide
CID 114329137
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
2-bromo-2-methyl-N-pent-4-ynylpropanamide
CID 106220855
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide
CID 89235308
2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide
CID 134337619
2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
CID 176959577
N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
CID 166130930

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide (CID 51711451) is 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide is CC(C)(Br)C(=O)NCCO.
What is the InChIKey of 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is IGUSHHZJVJZBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2/c1-6(2,7)5(10)8-3-4-9/h9H,3-4H2,1-2H3,(H,8,10).
What are the key properties of 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide?
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 210.07 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 51711451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).