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

C15H24BrClN2O — CID 2902956

IUPACN-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
SMILESCCCCN(C)CCC(=O)Nc1ccc(Br)c(C)c1.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-4-5-9-18(3)10-8-15(19)17-13-6-7-14(16)12(2)11-13;/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19);1H
InChIKeyAQOXKBYBAPYLAT-UHFFFAOYSA-N
MW363.73 g/mol
LogP4.24
Rot. Bonds7

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

N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride (PubChem CID 2902956) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
PubChem CID2902956
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
SMILESCCCCN(C)CCC(=O)Nc1ccc(Br)c(C)c1.Cl
InChIInChI=1S/C15H23BrN2O.ClH/c1-4-5-9-18(3)10-8-15(19)17-13-6-7-14(16)12(2)11-13;/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19);1H
InChIKeyAQOXKBYBAPYLAT-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
3-[acetyl(butyl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113115838
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
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide
CID 2902696
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 55103559

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride (CID 2902956) is N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride is CCCCN(C)CCC(=O)Nc1ccc(Br)c(C)c1.Cl.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride?
The InChIKey is AQOXKBYBAPYLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O.ClH/c1-4-5-9-18(3)10-8-15(19)17-13-6-7-14(16)12(2)11-13;/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19);1H.
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride?
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride has a molecular weight of 363.73 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 2902956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).