2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide

C18H21BrN2O3 — CID 9288795

IUPAC2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)CCOc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O3/c1-21(10-11-24-16-8-6-14(19)7-9-16)13-18(22)20-15-4-3-5-17(12-15)23-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyXSLWJCQQYWECCK-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.41
Rot. Bonds8

About 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide

2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 9288795) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID9288795
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)CCOc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O3/c1-21(10-11-24-16-8-6-14(19)7-9-16)13-18(22)20-15-4-3-5-17(12-15)23-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyXSLWJCQQYWECCK-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-(4-bromophenoxy)ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9288794
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 9288819
N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
CID 78815657
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
N-(3-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 17444168

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide (CID 9288795) is 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)CCOc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is XSLWJCQQYWECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-21(10-11-24-16-8-6-14(19)7-9-16)13-18(22)20-15-4-3-5-17(12-15)23-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 393.28 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 9288795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).