2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide

C8H16BrNO2 — CID 114329019

IUPAC2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ONC(=O)C(C)(C)Br
InChIInChI=1S/C8H16BrNO2/c1-7(2,3)12-10-6(11)8(4,5)9/h1-5H3,(H,10,11)
InChIKeyLVIWMJBVNGMEGB-UHFFFAOYSA-N
MW238.12 g/mol
LogP2.01
Rot. Bonds2

About 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide

2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 114329019) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID114329019
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ONC(=O)C(C)(C)Br
InChIInChI=1S/C8H16BrNO2/c1-7(2,3)12-10-6(11)8(4,5)9/h1-5H3,(H,10,11)
InChIKeyLVIWMJBVNGMEGB-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide (CID 114329019) is 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)ONC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is LVIWMJBVNGMEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2/c1-7(2,3)12-10-6(11)8(4,5)9/h1-5H3,(H,10,11).
What are the key properties of 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide?
2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 238.12 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 114329019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).