2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide

C9H18BrNO2 — CID 114329161

IUPAC2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
SMILESCC(CO)C(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrNO2/c1-6(5-12)7(2)11-8(13)9(3,4)10/h6-7,12H,5H2,1-4H3,(H,11,13)
InChIKeyVVHBZGICCHGOPU-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.29
Rot. Bonds4

About 2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide

2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide (PubChem CID 114329161) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
PubChem CID114329161
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
SMILESCC(CO)C(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrNO2/c1-6(5-12)7(2)11-8(13)9(3,4)10/h6-7,12H,5H2,1-4H3,(H,11,13)
InChIKeyVVHBZGICCHGOPU-UHFFFAOYSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.29
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-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 115734890
2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide
CID 114328721
(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104865654
2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 131071518
2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 125143096
2-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106344655
N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115770752
2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide
CID 114329139
N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 112700980
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 75373143
N-(4-hydroxy-3-methylbutan-2-yl)-3-methylpentanamide
CID 114875462

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide (CID 114329161) is 2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide is CC(CO)C(C)NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide?
The InChIKey is VVHBZGICCHGOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-6(5-12)7(2)11-8(13)9(3,4)10/h6-7,12H,5H2,1-4H3,(H,11,13).
What are the key properties of 2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide?
2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide has a molecular weight of 252.15 g/mol, XLogP of 1.29, 4 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-3-methylbutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 114329161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).