2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide

C9H18BrNO2 — CID 65105432

IUPAC2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide
SMILESCCC(Br)C(=O)NCC(C)(O)CC
InChIInChI=1S/C9H18BrNO2/c1-4-7(10)8(12)11-6-9(3,13)5-2/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyQSEGGENMHQFZRY-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.44
Rot. Bonds5

About 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide

2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide (PubChem CID 65105432) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide
PubChem CID65105432
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide
SMILESCCC(Br)C(=O)NCC(C)(O)CC
InChIInChI=1S/C9H18BrNO2/c1-4-7(10)8(12)11-6-9(3,13)5-2/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyQSEGGENMHQFZRY-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-bromo-N-(3-methylpentan-3-yl)butanamide
CID 106328360
3-amino-N-(2-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 115426775
2-amino-N-(2-hydroxy-2-methylbutyl)-2-methylbutanamide
CID 79811592
N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 65115000
2-bromo-N-methylbutanamide;hydrochloride
CID 154809614
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62856180
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid
CID 65108474
N-(2,3-dihydroxy-2-methylpropyl)-2-methylpropanamide
CID 66168288
6-amino-4-ethyl-N-(2-hydroxy-2-methylbutyl)hexanamide
CID 65106452

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide (CID 65105432) is 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide is CCC(Br)C(=O)NCC(C)(O)CC.
What is the InChIKey of 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide?
The InChIKey is QSEGGENMHQFZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-4-7(10)8(12)11-6-9(3,13)5-2/h7,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide?
2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide has a molecular weight of 252.15 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-2-methylbutyl)butanamide is sourced from PubChem (CID 65105432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).