2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide

C8H16BrNO4 — CID 82110016

IUPAC2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H16BrNO4/c1-7(2,9)6(14)10-8(3-11,4-12)5-13/h11-13H,3-5H2,1-2H3,(H,10,14)
InChIKeyXBRBCFXZJJMZAX-UHFFFAOYSA-N
MW270.12 g/mol
LogP-1.01
Rot. Bonds5

About 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide

2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide (PubChem CID 82110016) has the molecular formula C8H16BrNO4 and a molecular weight of 270.12 g/mol. Its IUPAC name is 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
PubChem CID82110016
Molecular FormulaC8H16BrNO4
Molecular Weight270.12 g/mol
Exact Mass269.03
IUPAC Name2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H16BrNO4/c1-7(2,9)6(14)10-8(3-11,4-12)5-13/h11-13H,3-5H2,1-2H3,(H,10,14)
InChIKeyXBRBCFXZJJMZAX-UHFFFAOYSA-N
XLogP-1.01
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide
CID 107845591
2-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 106186134
2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 22253669
3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106096105
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
CID 107866619
2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 88553786
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
CID 107865579
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide;N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
CID 161201056
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxy-2-methylpropanamide
CID 107866520
acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 159639150
2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide
CID 114329200

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide (CID 82110016) is 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide is CC(C)(Br)C(=O)NC(CO)(CO)CO.
What is the InChIKey of 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is XBRBCFXZJJMZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO4/c1-7(2,9)6(14)10-8(3-11,4-12)5-13/h11-13H,3-5H2,1-2H3,(H,10,14).
What are the key properties of 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide?
2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 270.12 g/mol, XLogP of -1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 82110016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).