2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide

C11H13N3O2 — CID 43520211

IUPAC2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
SMILESCc1ccc(N)cc1OCC(=O)NCC#N
InChIInChI=1S/C11H13N3O2/c1-8-2-3-9(13)6-10(8)16-7-11(15)14-5-4-12/h2-3,6H,5,7,13H2,1H3,(H,14,15)
InChIKeyHSSSISZIPAESIZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.60
Rot. Bonds4

About 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide

2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide (PubChem CID 43520211) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
PubChem CID43520211
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
SMILESCc1ccc(N)cc1OCC(=O)NCC#N
InChIInChI=1S/C11H13N3O2/c1-8-2-3-9(13)6-10(8)16-7-11(15)14-5-4-12/h2-3,6H,5,7,13H2,1H3,(H,14,15)
InChIKeyHSSSISZIPAESIZ-UHFFFAOYSA-N
XLogP0.60
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
CID 62109940
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
CID 43520249
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957007
2-(3-amino-2,6-dimethylphenoxy)-N-(cyanomethyl)acetamide
CID 62017573
2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide
CID 61388694
2-(5-amino-2-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79141432
2-[2-amino-5-(dimethylamino)phenoxy]-N-(cyanomethyl)acetamide
CID 79589161
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide (CID 43520211) is 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide is Cc1ccc(N)cc1OCC(=O)NCC#N.
What is the InChIKey of 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide?
The InChIKey is HSSSISZIPAESIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-2-3-9(13)6-10(8)16-7-11(15)14-5-4-12/h2-3,6H,5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide?
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 43520211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).