2-bromo-N-(2-methoxy-2-methylpropyl)acetamide

C7H14BrNO2 — CID 104759825

IUPAC2-bromo-N-(2-methoxy-2-methylpropyl)acetamide
SMILESCOC(C)(C)CNC(=O)CBr
InChIInChI=1S/C7H14BrNO2/c1-7(2,11-3)5-9-6(10)4-8/h4-5H2,1-3H3,(H,9,10)
InChIKeyIUTOUIMBKUXRPZ-UHFFFAOYSA-N
MW224.10 g/mol
LogP0.92
Rot. Bonds4

About 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide

2-bromo-N-(2-methoxy-2-methylpropyl)acetamide (PubChem CID 104759825) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxy-2-methylpropyl)acetamide
PubChem CID104759825
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC Name2-bromo-N-(2-methoxy-2-methylpropyl)acetamide
SMILESCOC(C)(C)CNC(=O)CBr
InChIInChI=1S/C7H14BrNO2/c1-7(2,11-3)5-9-6(10)4-8/h4-5H2,1-3H3,(H,9,10)
InChIKeyIUTOUIMBKUXRPZ-UHFFFAOYSA-N
XLogP0.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 104573930
1-(2-methoxy-2-methylpropyl)-3-methylurea
CID 115660964
N-(2-methoxy-2-methylpropyl)-2-(propylamino)acetamide
CID 104761261
2-(1-aminocyclohexyl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 113450228
N-tert-butyl-2-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]acetamide
CID 111607489
4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104764733
2-(ethylamino)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761328
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833
N-(2-methoxy-2-methylpropyl)-3-piperidin-4-ylpropanamide
CID 113343490
2-(4-aminopyrazol-1-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104758227
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
1-hydroxy-N-(2-methoxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 111485529

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide?
The IUPAC name of 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide (CID 104759825) is 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide is COC(C)(C)CNC(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide?
The InChIKey is IUTOUIMBKUXRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2/c1-7(2,11-3)5-9-6(10)4-8/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide?
2-bromo-N-(2-methoxy-2-methylpropyl)acetamide has a molecular weight of 224.10 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxy-2-methylpropyl)acetamide is sourced from PubChem (CID 104759825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).