(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium

C17H21N2O2+ — CID 8797715

IUPAC(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
SMILESC[NH+](CCOc1ccccc1)CC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-19(12-13-21-16-10-6-3-7-11-16)14-17(20)18-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,18,20)/p+1
InChIKeyRFGUEJMWQSGTND-UHFFFAOYSA-O
MW285.37 g/mol
LogP1.22
Rot. Bonds7

About (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium

(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium (PubChem CID 8797715) has the molecular formula C17H21N2O2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
PubChem CID8797715
Molecular FormulaC17H21N2O2+
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
SMILESC[NH+](CCOc1ccccc1)CC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-19(12-13-21-16-10-6-3-7-11-16)14-17(20)18-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,18,20)/p+1
InChIKeyRFGUEJMWQSGTND-UHFFFAOYSA-O
XLogP1.22
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797849
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
CID 8797759
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754906
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797585
2-(4-bromophenoxy)ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9288794
[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-(4-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9288880

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium (CID 8797715) is (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium is C[NH+](CCOc1ccccc1)CC(=O)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium?
The InChIKey is RFGUEJMWQSGTND-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N2O2/c1-19(12-13-21-16-10-6-3-7-11-16)14-17(20)18-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,18,20)/p+1.
What are the key properties of (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium?
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium has a molecular weight of 285.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8797715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).