N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide

C11H13N3O2 — CID 12841749

IUPACN-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCN
InChIInChI=1S/C11H13N3O2/c12-5-6-14-11(15)8-16-10-4-2-1-3-9(10)7-13/h1-4H,5-6,8,12H2,(H,14,15)
InChIKeyPHWADFGYTBQFNW-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.01
Rot. Bonds5

About N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide

N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide (PubChem CID 12841749) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
PubChem CID12841749
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCN
InChIInChI=1S/C11H13N3O2/c12-5-6-14-11(15)8-16-10-4-2-1-3-9(10)7-13/h1-4H,5-6,8,12H2,(H,14,15)
InChIKeyPHWADFGYTBQFNW-UHFFFAOYSA-N
XLogP0.01
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
CID 115491599
2-(2-cyanophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2714604
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 51195284
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857248
2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide
CID 60716733
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide (CID 12841749) is N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide?
The InChIKey is PHWADFGYTBQFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-5-6-14-11(15)8-16-10-4-2-1-3-9(10)7-13/h1-4H,5-6,8,12H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide?
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 12841749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).