2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide

C9H18BrNO3 — CID 106186138

IUPAC2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide
SMILESCOCC(CO)NC(=O)C(Br)C(C)C
InChIInChI=1S/C9H18BrNO3/c1-6(2)8(10)9(13)11-7(4-12)5-14-3/h6-8,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyWSOWXAKWYRERQT-UHFFFAOYSA-N
MW268.15 g/mol
LogP0.53
Rot. Bonds6

About 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide

2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide (PubChem CID 106186138) has the molecular formula C9H18BrNO3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide
PubChem CID106186138
Molecular FormulaC9H18BrNO3
Molecular Weight268.15 g/mol
Exact Mass267.05
IUPAC Name2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide
SMILESCOCC(CO)NC(=O)C(Br)C(C)C
InChIInChI=1S/C9H18BrNO3/c1-6(2)8(10)9(13)11-7(4-12)5-14-3/h6-8,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyWSOWXAKWYRERQT-UHFFFAOYSA-N
XLogP0.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79248858
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55169772
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106190646
6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide
CID 106188485
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-methylpropanamide
CID 106190418
3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
CID 106186140
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate
CID 106187566
(2R)-2-amino-N-(1-methoxybutan-2-yl)-3-methylbutanamide
CID 79012417

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide (CID 106186138) is 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide is COCC(CO)NC(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide?
The InChIKey is WSOWXAKWYRERQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3/c1-6(2)8(10)9(13)11-7(4-12)5-14-3/h6-8,12H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide?
2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide has a molecular weight of 268.15 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 106186138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).