2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide

C13H16N2O2 — CID 94685624

IUPAC2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)CC#N
InChIInChI=1S/C13H16N2O2/c1-10-3-4-12(17-2)11(9-10)6-8-15-13(16)5-7-14/h3-4,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyWIDNYVFKJSUONY-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.58
Rot. Bonds5

About 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 94685624) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID94685624
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)CC#N
InChIInChI=1S/C13H16N2O2/c1-10-3-4-12(17-2)11(9-10)6-8-15-13(16)5-7-14/h3-4,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyWIDNYVFKJSUONY-UHFFFAOYSA-N
XLogP1.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]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-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-cyano-N-[2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20986864
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115173278
4-bromo-N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 40659095
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
4-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]-3-oxobutanenitrile
CID 117038554

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 94685624) is 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1CCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is WIDNYVFKJSUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-3-4-12(17-2)11(9-10)6-8-15-13(16)5-7-14/h3-4,9H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 94685624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).