N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide

C14H21BrN2O — CID 109006163

IUPACN-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
SMILESCCCCN(C)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O/c1-4-5-8-17(3)10-14(18)16-12-6-7-13(15)11(2)9-12/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyOQSJIVCLDCWQFE-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.43
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide

N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide (PubChem CID 109006163) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
PubChem CID109006163
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
SMILESCCCCN(C)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O/c1-4-5-8-17(3)10-14(18)16-12-6-7-13(15)11(2)9-12/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyOQSJIVCLDCWQFE-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.43
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
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 55103559
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
N-(4-bromo-3-methylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 34431719
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 2438529
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
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N-(4-bromo-3-methylphenyl)-2-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]acetamide
CID 95773145

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide (CID 109006163) is N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide is CCCCN(C)CC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide?
The InChIKey is OQSJIVCLDCWQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-5-8-17(3)10-14(18)16-12-6-7-13(15)11(2)9-12/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.43, 6 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)-2-[butyl(methyl)amino]acetamide is sourced from PubChem (CID 109006163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).