[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

C18H23N2O3+ — CID 8797774

IUPAC[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccccc1NC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-20(12-13-23-15-8-4-3-5-9-15)14-18(21)19-16-10-6-7-11-17(16)22-2/h3-11H,12-14H2,1-2H3,(H,19,21)/p+1
InChIKeyZSBBJQUJINFWQI-UHFFFAOYSA-O
MW315.39 g/mol
LogP1.23
Rot. Bonds8

About [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8797774) has the molecular formula C18H23N2O3+ and a molecular weight of 315.39 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8797774
Molecular FormulaC18H23N2O3+
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCOc1ccccc1NC(=O)C[NH+](C)CCOc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-20(12-13-23-15-8-4-3-5-9-15)14-18(21)19-16-10-6-7-11-17(16)22-2/h3-11H,12-14H2,1-2H3,(H,19,21)/p+1
InChIKeyZSBBJQUJINFWQI-UHFFFAOYSA-O
XLogP1.23
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
CID 8797759
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797600
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797585
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797663
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925
2-(4-bromophenoxy)ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9288794
methyl-[2-(4-methylphenoxy)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104878
2-(4-ethoxyphenoxy)ethyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9104944
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
[2-(4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797849

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (CID 8797774) is [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is COc1ccccc1NC(=O)C[NH+](C)CCOc1ccccc1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is ZSBBJQUJINFWQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O3/c1-20(12-13-23-15-8-4-3-5-9-15)14-18(21)19-16-10-6-7-11-17(16)22-2/h3-11H,12-14H2,1-2H3,(H,19,21)/p+1.
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium has a molecular weight of 315.39 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8797774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).