[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium

C20H25BrN3O2+ — CID 8794472

IUPAC[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)CC(=O)NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C20H24BrN3O2/c1-3-15-8-10-16(11-9-15)13-24(2)14-20(26)22-12-19(25)23-18-7-5-4-6-17(18)21/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,25)/p+1
InChIKeyRTMGAZOGZQNDLF-UHFFFAOYSA-O
MW419.34 g/mol
LogP1.78
Rot. Bonds8

About [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium

[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium (PubChem CID 8794472) has the molecular formula C20H25BrN3O2+ and a molecular weight of 419.34 g/mol. Its IUPAC name is [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
PubChem CID8794472
Molecular FormulaC20H25BrN3O2+
Molecular Weight419.34 g/mol
Exact Mass418.11
IUPAC Name[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)CC(=O)NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C20H24BrN3O2/c1-3-15-8-10-16(11-9-15)13-24(2)14-20(26)22-12-19(25)23-18-7-5-4-6-17(18)21/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,25)/p+1
InChIKeyRTMGAZOGZQNDLF-UHFFFAOYSA-O
XLogP1.78
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium with MolForge

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
CID 8692910
(4-bromophenyl)methyl-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 9039937
(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8695083
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9426898
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907858
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024560
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9042178
1,3-benzodioxol-5-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8924585
(4-ethylphenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 7830803
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8794486

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
The IUPAC name of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium (CID 8794472) is [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium is CCc1ccc(C[NH+](C)CC(=O)NCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
The InChIKey is RTMGAZOGZQNDLF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24BrN3O2/c1-3-15-8-10-16(11-9-15)13-24(2)14-20(26)22-12-19(25)23-18-7-5-4-6-17(18)21/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,25)/p+1.
What are the key properties of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium?
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium has a molecular weight of 419.34 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium is sourced from PubChem (CID 8794472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).