[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

C19H25N2O3+ — CID 8797883

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccc(CNC(=O)C[NH+](C)CCOc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-21(12-13-24-18-6-4-3-5-7-18)15-19(22)20-14-16-8-10-17(23-2)11-9-16/h3-11H,12-15H2,1-2H3,(H,20,22)/p+1
InChIKeyZKGFDZIROYHLLY-UHFFFAOYSA-O
MW329.42 g/mol
LogP0.91
Rot. Bonds9

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8797883) has the molecular formula C19H25N2O3+ and a molecular weight of 329.42 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8797883
Molecular FormulaC19H25N2O3+
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccc(CNC(=O)C[NH+](C)CCOc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-21(12-13-24-18-6-4-3-5-7-18)15-19(22)20-14-16-8-10-17(23-2)11-9-16/h3-11H,12-15H2,1-2H3,(H,20,22)/p+1
InChIKeyZKGFDZIROYHLLY-UHFFFAOYSA-O
XLogP0.91
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797600
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8754904
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium
CID 8767256
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
CID 48502857
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (CID 8797883) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is COc1ccc(CNC(=O)C[NH+](C)CCOc2ccccc2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is ZKGFDZIROYHLLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O3/c1-21(12-13-24-18-6-4-3-5-7-18)15-19(22)20-14-16-8-10-17(23-2)11-9-16/h3-11H,12-15H2,1-2H3,(H,20,22)/p+1.
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium has a molecular weight of 329.42 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8797883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).