[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium

C17H26BrN4O3+ — CID 8692910

IUPAC[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H25BrN4O3/c1-4-22(5-2)17(25)12-21(3)11-16(24)19-10-15(23)20-14-9-7-6-8-13(14)18/h6-9H,4-5,10-12H2,1-3H3,(H,19,24)(H,20,23)/p+1
InChIKeyRXWMJVGIVYOBIC-UHFFFAOYSA-O
MW414.32 g/mol
LogP-0.11
Rot. Bonds9

About [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium

[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium (PubChem CID 8692910) has the molecular formula C17H26BrN4O3+ and a molecular weight of 414.32 g/mol. Its IUPAC name is [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
PubChem CID8692910
Molecular FormulaC17H26BrN4O3+
Molecular Weight414.32 g/mol
Exact Mass413.12
IUPAC Name[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H25BrN4O3/c1-4-22(5-2)17(25)12-21(3)11-16(24)19-10-15(23)20-14-9-7-6-8-13(14)18/h6-9H,4-5,10-12H2,1-3H3,(H,19,24)(H,20,23)/p+1
InChIKeyRXWMJVGIVYOBIC-UHFFFAOYSA-O
XLogP-0.11
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8794472
[2-(2-bromoanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712106
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
[2-(2-bromoanilino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 9252609
[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8692228
2-(2-bromophenyl)-N-[2-(diethylamino)-2-oxoethyl]acetamide
CID 112994741
[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048442
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
CID 8692080
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium
CID 9252675
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8843903

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium (CID 8692910) is [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium is CCN(CC)C(=O)C[NH+](C)CC(=O)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is RXWMJVGIVYOBIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25BrN4O3/c1-4-22(5-2)17(25)12-21(3)11-16(24)19-10-15(23)20-14-9-7-6-8-13(14)18/h6-9H,4-5,10-12H2,1-3H3,(H,19,24)(H,20,23)/p+1.
What are the key properties of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium?
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 414.32 g/mol, XLogP of -0.11, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8692910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).