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

C9H18BrNO2 — CID 131071518

IUPAC2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Br)C(C)(C)O
InChIInChI=1S/C9H18BrNO2/c1-6(9(4,5)13)11-7(12)8(2,3)10/h6,13H,1-5H3,(H,11,12)
InChIKeyHGKHDMQRMNYIHE-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.44
Rot. Bonds3

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

2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide (PubChem CID 131071518) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
PubChem CID131071518
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Br)C(C)(C)O
InChIInChI=1S/C9H18BrNO2/c1-6(9(4,5)13)11-7(12)8(2,3)10/h6,13H,1-5H3,(H,11,12)
InChIKeyHGKHDMQRMNYIHE-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.44
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

[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 129021869
[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 151056866
2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
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2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide
CID 114328721
2-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106344655
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CID 130862795
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide
CID 114329139
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
2-bromo-2-methyl-N-propan-2-yloxypropanamide
CID 131182028
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CID 82110375
2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 114329095

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide (CID 131071518) is 2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide is CC(NC(=O)C(C)(C)Br)C(C)(C)O.
What is the InChIKey of 2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide?
The InChIKey is HGKHDMQRMNYIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-6(9(4,5)13)11-7(12)8(2,3)10/h6,13H,1-5H3,(H,11,12).
What are the key properties of 2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide?
2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide has a molecular weight of 252.15 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 131071518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).