N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide

C13H16N2O3 — CID 94689354

IUPACN-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide
SMILESCCN(CC#N)C(=O)COc1ccccc1OC
InChIInChI=1S/C13H16N2O3/c1-3-15(9-8-14)13(16)10-18-12-7-5-4-6-11(12)17-2/h4-7H,3,9-10H2,1-2H3
InChIKeyYVVVSNBYBYFVQX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.45
Rot. Bonds6

About N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide

N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide (PubChem CID 94689354) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide
PubChem CID94689354
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide
SMILESCCN(CC#N)C(=O)COc1ccccc1OC
InChIInChI=1S/C13H16N2O3/c1-3-15(9-8-14)13(16)10-18-12-7-5-4-6-11(12)17-2/h4-7H,3,9-10H2,1-2H3
InChIKeyYVVVSNBYBYFVQX-UHFFFAOYSA-N
XLogP1.45
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)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

N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 54790706
N-(2-hydroxyethyl)-2-(2-methoxyphenoxy)-N-propylacetamide
CID 60655941
2-(4-bromo-2-fluorophenoxy)-N-(cyanomethyl)-N-ethylacetamide
CID 47082970
N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502
N-(2,6-difluorophenyl)-2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 26266266
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
2-(2,6-dimethoxyphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767254
2-[4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-2-methoxyphenoxy]-N,N-diethylacetamide
CID 2207442

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide (CID 94689354) is N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide is CCN(CC#N)C(=O)COc1ccccc1OC.
What is the InChIKey of N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide?
The InChIKey is YVVVSNBYBYFVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-15(9-8-14)13(16)10-18-12-7-5-4-6-11(12)17-2/h4-7H,3,9-10H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide?
N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 94689354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).