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

C20H26N3O2+ — CID 8588781

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-9-11-18(12-10-16)21-19(24)14-22(2)15-20(25)23(3)13-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H,21,24)/p+1
InChIKeyAOXXNEBKVYZLKA-UHFFFAOYSA-O
MW340.45 g/mol
LogP1.11
Rot. Bonds7

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

[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 8588781) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
PubChem CID8588781
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-9-11-18(12-10-16)21-19(24)14-22(2)15-20(25)23(3)13-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H,21,24)/p+1
InChIKeyAOXXNEBKVYZLKA-UHFFFAOYSA-O
XLogP1.11
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785660
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221977
[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 9253030
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
CID 9287627
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8712336
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222371
methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250367
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 8793608
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 8588781) is [2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
The InChIKey is AOXXNEBKVYZLKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O2/c1-16-9-11-18(12-10-16)21-19(24)14-22(2)15-20(25)23(3)13-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H,21,24)/p+1.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 340.45 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8588781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).