2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide

C7H14BrNO3 — CID 114329018

IUPAC2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide
SMILESCOCCONC(=O)C(C)(C)Br
InChIInChI=1S/C7H14BrNO3/c1-7(2,8)6(10)9-12-5-4-11-3/h4-5H2,1-3H3,(H,9,10)
InChIKeyNGMKYPCALROOSZ-UHFFFAOYSA-N
MW240.10 g/mol
LogP0.85
Rot. Bonds5

About 2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide

2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide (PubChem CID 114329018) has the molecular formula C7H14BrNO3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide
PubChem CID114329018
Molecular FormulaC7H14BrNO3
Molecular Weight240.10 g/mol
Exact Mass239.02
IUPAC Name2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide
SMILESCOCCONC(=O)C(C)(C)Br
InChIInChI=1S/C7H14BrNO3/c1-7(2,8)6(10)9-12-5-4-11-3/h4-5H2,1-3H3,(H,9,10)
InChIKeyNGMKYPCALROOSZ-UHFFFAOYSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N-butoxy-2-methylpropanamide
CID 117718711
2-bromo-N-(2-methoxyethoxy)butanamide
CID 82715226
3-bromo-N-(2-methoxyethoxy)propanamide
CID 104191891
2-bromo-N-(2-methylpropoxy)propanamide
CID 107905622
2-bromo-N-(2-methoxyethoxy)propanamide
CID 107905624
2-bromo-2-methyl-N-(2-methylpropoxy)propanamide
CID 114329016
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-N-(2-methoxyethoxy)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide (CID 114329018) is 2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide is COCCONC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide?
The InChIKey is NGMKYPCALROOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO3/c1-7(2,8)6(10)9-12-5-4-11-3/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide?
2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide has a molecular weight of 240.10 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide is sourced from PubChem (CID 114329018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).