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

C19H25N2O3+ — CID 8797600

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccccc1CNC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-21(12-13-24-17-9-4-3-5-10-17)15-19(22)20-14-16-8-6-7-11-18(16)23-2/h3-11H,12-15H2,1-2H3,(H,20,22)/p+1
InChIKeyCVTMPCPJKFFMOI-UHFFFAOYSA-O
MW329.42 g/mol
LogP0.91
Rot. Bonds9

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

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8797600) has the molecular formula C19H25N2O3+ and a molecular weight of 329.42 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8797600
Molecular FormulaC19H25N2O3+
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccccc1CNC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-21(12-13-24-17-9-4-3-5-10-17)15-19(22)20-14-16-8-6-7-11-18(16)23-2/h3-11H,12-15H2,1-2H3,(H,20,22)/p+1
InChIKeyCVTMPCPJKFFMOI-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

methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8754904
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea
CID 38147914
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26776021
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949391
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
(3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8909166
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9222379

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (CID 8797600) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is COc1ccccc1CNC(=O)C[NH+](C)CCOc1ccccc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is CVTMPCPJKFFMOI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O3/c1-21(12-13-24-17-9-4-3-5-10-17)15-19(22)20-14-16-8-6-7-11-18(16)23-2/h3-11H,12-15H2,1-2H3,(H,20,22)/p+1.
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
[2-[(2-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-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8797600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).