2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide

C8H16BrNO2 — CID 107905413

IUPAC2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)C(C)Br
InChIInChI=1S/C8H16BrNO2/c1-6(3-4-11)5-10-8(12)7(2)9/h6-7,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyYJVXAGYLRMFIFA-UHFFFAOYSA-N
MW238.12 g/mol
LogP0.90
Rot. Bonds5

About 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide

2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide (PubChem CID 107905413) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide
PubChem CID107905413
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)C(C)Br
InChIInChI=1S/C8H16BrNO2/c1-6(3-4-11)5-10-8(12)7(2)9/h6-7,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyYJVXAGYLRMFIFA-UHFFFAOYSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 50.90
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

2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 107569995
2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66106637
methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
CID 107145862
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
CID 81102467
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide (CID 107905413) is 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide is CC(CCO)CNC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide?
The InChIKey is YJVXAGYLRMFIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2/c1-6(3-4-11)5-10-8(12)7(2)9/h6-7,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide?
2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide has a molecular weight of 238.12 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 107905413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).