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

C18H21BrN2O2 — CID 2438529

IUPACN-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCc1cc(NC(=O)CN(C)CCOc2ccccc2)ccc1Br
InChIInChI=1S/C18H21BrN2O2/c1-14-12-15(8-9-17(14)19)20-18(22)13-21(2)10-11-23-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyMKQKBSCRKSUBOY-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.71
Rot. Bonds7

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

N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 2438529) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID2438529
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCc1cc(NC(=O)CN(C)CCOc2ccccc2)ccc1Br
InChIInChI=1S/C18H21BrN2O2/c1-14-12-15(8-9-17(14)19)20-18(22)13-21(2)10-11-23-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyMKQKBSCRKSUBOY-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 55103559
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9288795
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
N-(4-fluorophenyl)-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]acetamide
CID 8797411
methyl 2-[benzyl-[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]acetate
CID 55820086
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 2438529) is N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is Cc1cc(NC(=O)CN(C)CCOc2ccccc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is MKQKBSCRKSUBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-14-12-15(8-9-17(14)19)20-18(22)13-21(2)10-11-23-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide has a molecular weight of 377.28 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 2438529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).