2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium

C14H21BrN3O2+ — CID 8790467

IUPAC2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium
SMILESCC(=O)NCC[NH+](C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C14H20BrN3O2/c1-10-8-12(15)4-5-13(10)17-14(20)9-18(3)7-6-16-11(2)19/h4-5,8H,6-7,9H2,1-3H3,(H,16,19)(H,17,20)/p+1
InChIKeyFQEAICJFKWKKOG-UHFFFAOYSA-O
MW343.25 g/mol
LogP0.35
Rot. Bonds6

About 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium

2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium (PubChem CID 8790467) has the molecular formula C14H21BrN3O2+ and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium
PubChem CID8790467
Molecular FormulaC14H21BrN3O2+
Molecular Weight343.25 g/mol
Exact Mass342.08
IUPAC Name2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium
SMILESCC(=O)NCC[NH+](C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C14H20BrN3O2/c1-10-8-12(15)4-5-13(10)17-14(20)9-18(3)7-6-16-11(2)19/h4-5,8H,6-7,9H2,1-3H3,(H,16,19)(H,17,20)/p+1
InChIKeyFQEAICJFKWKKOG-UHFFFAOYSA-O
XLogP0.35
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303422
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9303287
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303392
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
CID 8790611
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
2-acetamidoethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 8843577
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(2S)-2-hydroxy-2-phenylethyl]-methylazanium
CID 9248120
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-methylazanium
CID 9038482
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9332722
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024560
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 9303266

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium (CID 8790467) is 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium is CC(=O)NCC[NH+](C)CC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is FQEAICJFKWKKOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20BrN3O2/c1-10-8-12(15)4-5-13(10)17-14(20)9-18(3)7-6-16-11(2)19/h4-5,8H,6-7,9H2,1-3H3,(H,16,19)(H,17,20)/p+1.
What are the key properties of 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium?
2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 343.25 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8790467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).