[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium

C20H25ClN3O3+ — CID 9222371

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H24ClN3O3/c1-23(14-20(26)24(2)12-15-7-5-4-6-8-15)13-19(25)22-17-11-16(21)9-10-18(17)27-3/h4-11H,12-14H2,1-3H3,(H,22,25)/p+1
InChIKeyDMPDZWHXYRAUJE-UHFFFAOYSA-O
MW390.89 g/mol
LogP1.46
Rot. Bonds8

About [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium

[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 9222371) has the molecular formula C20H25ClN3O3+ and a molecular weight of 390.89 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID9222371
Molecular FormulaC20H25ClN3O3+
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H24ClN3O3/c1-23(14-20(26)24(2)12-15-7-5-4-6-8-15)13-19(25)22-17-11-16(21)9-10-18(17)27-3/h4-11H,12-14H2,1-3H3,(H,22,25)/p+1
InChIKeyDMPDZWHXYRAUJE-UHFFFAOYSA-O
XLogP1.46
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 9222316
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium
CID 8793994
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788847
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 7830809
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium
CID 9248126
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9222379
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]azanium
CID 8557785
N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9222315
N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9222317
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221977

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium (CID 9222371) is [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium is COc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is DMPDZWHXYRAUJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN3O3/c1-23(14-20(26)24(2)12-15-7-5-4-6-8-15)13-19(25)22-17-11-16(21)9-10-18(17)27-3/h4-11H,12-14H2,1-3H3,(H,22,25)/p+1.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium?
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 390.89 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9222371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).