[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium

C17H27BrN3O2+ — CID 8790463

IUPAC[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium
SMILESCCCCN(C)C(=O)C[NH+](C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H26BrN3O2/c1-5-6-9-21(4)17(23)12-20(3)11-16(22)19-15-8-7-14(18)10-13(15)2/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,19,22)/p+1
InChIKeyFOZXAJCOAMJVTE-UHFFFAOYSA-O
MW385.33 g/mol
LogP1.47
Rot. Bonds8

About [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium (PubChem CID 8790463) has the molecular formula C17H27BrN3O2+ and a molecular weight of 385.33 g/mol. Its IUPAC name is [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium
PubChem CID8790463
Molecular FormulaC17H27BrN3O2+
Molecular Weight385.33 g/mol
Exact Mass384.13
IUPAC Name[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium
SMILESCCCCN(C)C(=O)C[NH+](C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H26BrN3O2/c1-5-6-9-21(4)17(23)12-20(3)11-16(22)19-15-8-7-14(18)10-13(15)2/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,19,22)/p+1
InChIKeyFOZXAJCOAMJVTE-UHFFFAOYSA-O
XLogP1.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303392
[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]-methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
CID 8790611
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 9303266
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium
CID 8790467
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
CID 113136785
[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8692228
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9332722
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-methylazanium
CID 9038482

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium (CID 8790463) is [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium is CCCCN(C)C(=O)C[NH+](C)CC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium?
The InChIKey is FOZXAJCOAMJVTE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26BrN3O2/c1-5-6-9-21(4)17(23)12-20(3)11-16(22)19-15-8-7-14(18)10-13(15)2/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,19,22)/p+1.
What are the key properties of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium?
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium has a molecular weight of 385.33 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8790463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).