3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide

C15H20BrN3O3 — CID 16583098

IUPAC3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(=O)NCCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H20BrN3O3/c1-10-8-12(16)4-5-13(10)18-14(21)9-19(3)15(22)6-7-17-11(2)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCKASCDXEPBOJAR-UHFFFAOYSA-N
MW370.25 g/mol
LogP1.68
Rot. Bonds6

About 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide

3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 16583098) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID16583098
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(=O)NCCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H20BrN3O3/c1-10-8-12(16)4-5-13(10)18-14(21)9-19(3)15(22)6-7-17-11(2)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCKASCDXEPBOJAR-UHFFFAOYSA-N
XLogP1.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide
CID 24543863
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide
CID 36913449
4-(4-acetylphenoxy)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylbutanamide
CID 26904768
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 27761676
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 27761650
2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27761796
2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium
CID 8790467
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-methylacetamide
CID 8539797
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide (CID 16583098) is 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide is CC(=O)NCCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is CKASCDXEPBOJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-10-8-12(16)4-5-13(10)18-14(21)9-19(3)15(22)6-7-17-11(2)20/h4-5,8H,6-7,9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide?
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 370.25 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 16583098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).