[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium

C18H23N2O2+ — CID 8761467

IUPAC[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-20(13-16-8-10-17(22-2)11-9-16)14-18(21)19-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,19,21)/p+1
InChIKeyUJIVHMGDRWSGCJ-UHFFFAOYSA-O
MW299.39 g/mol
LogP1.03
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium

[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium (PubChem CID 8761467) has the molecular formula C18H23N2O2+ and a molecular weight of 299.39 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
PubChem CID8761467
Molecular FormulaC18H23N2O2+
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-20(13-16-8-10-17(22-2)11-9-16)14-18(21)19-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,19,21)/p+1
InChIKeyUJIVHMGDRWSGCJ-UHFFFAOYSA-O
XLogP1.03
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
(5-bromothiophen-2-yl)methyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9299518
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9304175
[2-[3-(tert-butylazaniumyl)propylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793384
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9167203
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8816741
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium (CID 8761467) is [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium is COc1ccc(C[NH+](C)CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium?
The InChIKey is UJIVHMGDRWSGCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O2/c1-20(13-16-8-10-17(22-2)11-9-16)14-18(21)19-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,19,21)/p+1.
What are the key properties of [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium?
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium has a molecular weight of 299.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8761467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).