3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide

C13H19BrN2O — CID 119501581

IUPAC3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCc1ccc(Br)c(C)c1
InChIInChI=1S/C13H19BrN2O/c1-10-9-11(3-5-12(10)14)4-6-13(17)16-8-7-15-2/h3,5,9,15H,4,6-8H2,1-2H3,(H,16,17)
InChIKeyBULNYPXMLFBYLI-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.03
Rot. Bonds6

About 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide

3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 119501581) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide
PubChem CID119501581
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCc1ccc(Br)c(C)c1
InChIInChI=1S/C13H19BrN2O/c1-10-9-11(3-5-12(10)14)4-6-13(17)16-8-7-15-2/h3,5,9,15H,4,6-8H2,1-2H3,(H,16,17)
InChIKeyBULNYPXMLFBYLI-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(4-bromo-3-methylphenyl)propanoylamino]butanoic acid
CID 167842148
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119502303
3-(4-bromo-3-methylphenyl)-N-methylpropan-1-amine
CID 82293297
3-(4-bromo-3-methylphenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
CID 96570209
3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119535206
3-(4-bromo-3-methylphenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111912095
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide
CID 119586699
3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
CID 110835538
3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025846
N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
CID 119502671
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-bromo-3-methylphenyl)propanamide
CID 119456815

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide (CID 119501581) is 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)CCc1ccc(Br)c(C)c1.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is BULNYPXMLFBYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-9-11(3-5-12(10)14)4-6-13(17)16-8-7-15-2/h3,5,9,15H,4,6-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide?
3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 299.21 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 119501581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).