3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide

C13H18BrNO2 — CID 24843823

IUPAC3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide
SMILESCOCCN(C(=O)CCBr)c1ccccc1C
InChIInChI=1S/C13H18BrNO2/c1-11-5-3-4-6-12(11)15(9-10-17-2)13(16)7-8-14/h3-6H,7-10H2,1-2H3
InChIKeyMEPCRSXIPWDUQR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.76
Rot. Bonds6

About 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide

3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide (PubChem CID 24843823) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide
PubChem CID24843823
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide
SMILESCOCCN(C(=O)CCBr)c1ccccc1C
InChIInChI=1S/C13H18BrNO2/c1-11-5-3-4-6-12(11)15(9-10-17-2)13(16)7-8-14/h3-6H,7-10H2,1-2H3
InChIKeyMEPCRSXIPWDUQR-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide (CID 24843823) is 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide is COCCN(C(=O)CCBr)c1ccccc1C.
What is the InChIKey of 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide?
The InChIKey is MEPCRSXIPWDUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-11-5-3-4-6-12(11)15(9-10-17-2)13(16)7-8-14/h3-6H,7-10H2,1-2H3.
What are the key properties of 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide?
3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide has a molecular weight of 300.20 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxyethyl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 24843823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).