N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

C20H24BrN3O2 — CID 2699969

IUPACN-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c(Br)c1
InChIInChI=1S/C20H24BrN3O2/c1-13-8-9-17(16(21)10-13)22-18(25)11-24(4)12-19(26)23-20-14(2)6-5-7-15(20)3/h5-10H,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZKKBULLOVMKBNJ-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.88
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 2699969) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID2699969
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c(Br)c1
InChIInChI=1S/C20H24BrN3O2/c1-13-8-9-17(16(21)10-13)22-18(25)11-24(4)12-19(26)23-20-14(2)6-5-7-15(20)3/h5-10H,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZKKBULLOVMKBNJ-UHFFFAOYSA-N
XLogP3.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 2699969) is N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is ZKKBULLOVMKBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-13-8-9-17(16(21)10-13)22-18(25)11-24(4)12-19(26)23-20-14(2)6-5-7-15(20)3/h5-10H,11-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 418.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 2699969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).