2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide

C12H13N3O3 — CID 43374251

IUPAC2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
SMILESCN(CC(N)=O)C(=O)COc1ccccc1C#N
InChIInChI=1S/C12H13N3O3/c1-15(7-11(14)16)12(17)8-18-10-5-3-2-4-9(10)6-13/h2-5H,7-8H2,1H3,(H2,14,16)
InChIKeyXTHIXDUJUIWISH-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.12
Rot. Bonds5

About 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide

2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide (PubChem CID 43374251) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
PubChem CID43374251
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
SMILESCN(CC(N)=O)C(=O)COc1ccccc1C#N
InChIInChI=1S/C12H13N3O3/c1-15(7-11(14)16)12(17)8-18-10-5-3-2-4-9(10)6-13/h2-5H,7-8H2,1H3,(H2,14,16)
InChIKeyXTHIXDUJUIWISH-UHFFFAOYSA-N
XLogP-0.12
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
2-(2-cyanophenoxy)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7718911
[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274874
N-(4-aminophenyl)-2-(2-cyanophenoxy)-N-methylacetamide
CID 43376567
2-[[2-(2-benzylphenoxy)acetyl]-methylamino]acetamide
CID 56813072
2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9227961
2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43397563
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide
CID 9116115
2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60832205
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317396

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide (CID 43374251) is 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide is CN(CC(N)=O)C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide?
The InChIKey is XTHIXDUJUIWISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15(7-11(14)16)12(17)8-18-10-5-3-2-4-9(10)6-13/h2-5H,7-8H2,1H3,(H2,14,16).
What are the key properties of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide?
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide has a molecular weight of 247.25 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide is sourced from PubChem (CID 43374251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).