[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium

C19H29BrN3O2+ — CID 9303266

IUPAC[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
SMILESCc1cc(Br)ccc1NC(=O)C[NH+](C)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C19H28BrN3O2/c1-13-4-7-16(8-5-13)21-18(24)11-23(3)12-19(25)22-17-9-6-15(20)10-14(17)2/h6,9-10,13,16H,4-5,7-8,11-12H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyXHRIKXCAVKJGNN-UHFFFAOYSA-O
MW411.36 g/mol
LogP1.91
Rot. Bonds6

About [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium (PubChem CID 9303266) has the molecular formula C19H29BrN3O2+ and a molecular weight of 411.36 g/mol. Its IUPAC name is [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
PubChem CID9303266
Molecular FormulaC19H29BrN3O2+
Molecular Weight411.36 g/mol
Exact Mass410.14
IUPAC Name[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
SMILESCc1cc(Br)ccc1NC(=O)C[NH+](C)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C19H28BrN3O2/c1-13-4-7-16(8-5-13)21-18(24)11-23(3)12-19(25)22-17-9-6-15(20)10-14(17)2/h6,9-10,13,16H,4-5,7-8,11-12H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyXHRIKXCAVKJGNN-UHFFFAOYSA-O
XLogP1.91
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium with MolForge

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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-(2-methylbutan-2-ylamino)-2-oxoethyl]azanium
CID 8790611
[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-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9303287
2-acetamidoethyl-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylazanium
CID 8790467
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium
CID 8790463
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8790340
[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
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8552071
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]-methylazanium
CID 9303377

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium (CID 9303266) is [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium is Cc1cc(Br)ccc1NC(=O)C[NH+](C)CC(=O)NC1CCC(C)CC1.
What is the InChIKey of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
The InChIKey is XHRIKXCAVKJGNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28BrN3O2/c1-13-4-7-16(8-5-13)21-18(24)11-23(3)12-19(25)22-17-9-6-15(20)10-14(17)2/h6,9-10,13,16H,4-5,7-8,11-12H2,1-3H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium has a molecular weight of 411.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9303266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).