2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide

C11H13N3O3 — CID 62109940

IUPAC2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
SMILESCOc1cc(N)ccc1OCC(=O)NCC#N
InChIInChI=1S/C11H13N3O3/c1-16-10-6-8(13)2-3-9(10)17-7-11(15)14-5-4-12/h2-3,6H,5,7,13H2,1H3,(H,14,15)
InChIKeyAVDXUMNXSOGRBF-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.30
Rot. Bonds5

About 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide

2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide (PubChem CID 62109940) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
PubChem CID62109940
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
SMILESCOc1cc(N)ccc1OCC(=O)NCC#N
InChIInChI=1S/C11H13N3O3/c1-16-10-6-8(13)2-3-9(10)17-7-11(15)14-5-4-12/h2-3,6H,5,7,13H2,1H3,(H,14,15)
InChIKeyAVDXUMNXSOGRBF-UHFFFAOYSA-N
XLogP0.30
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide
CID 61388694
2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492512
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-(cyanomethyl)acetamide
CID 63050980
N-(cyanomethyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 43516619
2-[2-amino-5-(dimethylamino)phenoxy]-N-(cyanomethyl)acetamide
CID 79589161
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284
[2-(2-cyanoethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321955
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666924
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide (CID 62109940) is 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide is COc1cc(N)ccc1OCC(=O)NCC#N.
What is the InChIKey of 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide?
The InChIKey is AVDXUMNXSOGRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-16-10-6-8(13)2-3-9(10)17-7-11(15)14-5-4-12/h2-3,6H,5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide?
2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide has a molecular weight of 235.24 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 62109940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).