2-bromo-2-methyl-N-(2-methylpropoxy)propanamide

C8H16BrNO2 — CID 114329016

IUPAC2-bromo-2-methyl-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)C(C)(C)Br
InChIInChI=1S/C8H16BrNO2/c1-6(2)5-12-10-7(11)8(3,4)9/h6H,5H2,1-4H3,(H,10,11)
InChIKeyTYVYNPXQRAPXIM-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.86
Rot. Bonds4

About 2-bromo-2-methyl-N-(2-methylpropoxy)propanamide

2-bromo-2-methyl-N-(2-methylpropoxy)propanamide (PubChem CID 114329016) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(2-methylpropoxy)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(2-methylpropoxy)propanamide
PubChem CID114329016
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name2-bromo-2-methyl-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)C(C)(C)Br
InChIInChI=1S/C8H16BrNO2/c1-6(2)5-12-10-7(11)8(3,4)9/h6H,5H2,1-4H3,(H,10,11)
InChIKeyTYVYNPXQRAPXIM-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.86
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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Related Compounds

2-bromo-N-methoxy-2-methylpropanamide
CID 114328794
2-bromo-N-ethoxy-2-methylpropanamide
CID 89867395
2-bromo-2-methyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 114329019
2-bromo-N-butoxy-2-methylpropanamide
CID 117718711
2-bromo-3-methyl-N-(2-methylpropoxy)butanamide
CID 82715224
2-bromo-N-(2-methylpropoxy)butanamide
CID 82715559
2-bromo-N-(2-methylpropoxy)propanamide
CID 107905622
2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide
CID 114329018
2-bromo-2-methyl-N-prop-2-ynoxypropanamide
CID 130627561
2-bromo-2-methyl-N-propan-2-yloxypropanamide
CID 131182028

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(2-methylpropoxy)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(2-methylpropoxy)propanamide (CID 114329016) is 2-bromo-2-methyl-N-(2-methylpropoxy)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(2-methylpropoxy)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(2-methylpropoxy)propanamide is CC(C)CONC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-(2-methylpropoxy)propanamide?
The InChIKey is TYVYNPXQRAPXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2/c1-6(2)5-12-10-7(11)8(3,4)9/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-bromo-2-methyl-N-(2-methylpropoxy)propanamide?
2-bromo-2-methyl-N-(2-methylpropoxy)propanamide has a molecular weight of 238.12 g/mol, XLogP of 1.86, 4 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-methylpropoxy)propanamide is sourced from PubChem (CID 114329016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).