N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide

C15H23BrN2O — CID 109032458

IUPACN-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-4-5-9-18(3)10-8-15(19)17-13-7-6-12(2)14(16)11-13/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyOIJPZFUWIKJKTM-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.82
Rot. Bonds7

About N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide

N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide (PubChem CID 109032458) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
PubChem CID109032458
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-4-5-9-18(3)10-8-15(19)17-13-7-6-12(2)14(16)11-13/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyOIJPZFUWIKJKTM-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
3-[acetyl(butyl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113115838
N-(3-bromo-4-methylphenyl)-N'-butyl-N'-methylpropanediamide
CID 108952043
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
CID 171154464
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide (CID 109032458) is N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide is CCCCN(C)CCC(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide?
The InChIKey is OIJPZFUWIKJKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-5-9-18(3)10-8-15(19)17-13-7-6-12(2)14(16)11-13/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide?
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide has a molecular weight of 327.27 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide is sourced from PubChem (CID 109032458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).