2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide

C9H18BrNO3 — CID 114329141

IUPAC2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(CCO)C(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrNO3/c1-9(2,10)8(13)11(4-6-12)5-7-14-3/h12H,4-7H2,1-3H3
InChIKeyICWOTXIZSZXPCS-UHFFFAOYSA-N
MW268.15 g/mol
LogP0.63
Rot. Bonds6

About 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide

2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 114329141) has the molecular formula C9H18BrNO3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID114329141
Molecular FormulaC9H18BrNO3
Molecular Weight268.15 g/mol
Exact Mass267.05
IUPAC Name2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(CCO)C(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrNO3/c1-9(2,10)8(13)11(4-6-12)5-7-14-3/h12H,4-7H2,1-3H3
InChIKeyICWOTXIZSZXPCS-UHFFFAOYSA-N
XLogP0.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
CID 114328195
2,2,3,3-tetrafluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 103915709
3-amino-N,N-bis(2-methoxyethyl)-2,2,3-trimethylbutanamide
CID 65264293
2,2-difluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 103513987
2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide
CID 114328513
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)propanamide
CID 103310231
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
2-amino-3,3,3-trifluoro-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 79796803
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414
3-cyclopentyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 113339851

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide (CID 114329141) is 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide is COCCN(CCO)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is ICWOTXIZSZXPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3/c1-9(2,10)8(13)11(4-6-12)5-7-14-3/h12H,4-7H2,1-3H3.
What are the key properties of 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide?
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 268.15 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 114329141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).