N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide

C18H18N2O2 — CID 43824298

IUPACN-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H18N2O2/c1-13-7-8-14(2)17(11-13)22-10-9-18(21)20-16-6-4-3-5-15(16)12-19/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyIONOYKCRTRJKHP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.58
Rot. Bonds5

About N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide

N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 43824298) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
PubChem CID43824298
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H18N2O2/c1-13-7-8-14(2)17(11-13)22-10-9-18(21)20-16-6-4-3-5-15(16)12-19/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyIONOYKCRTRJKHP-UHFFFAOYSA-N
XLogP3.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide 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

[3-(2-cyanoanilino)-3-oxopropyl] 3-(2,5-dimethylphenoxy)propanoate
CID 18267761
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 4803683
3-(2,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 26290770
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328
N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide
CID 18069922
N-(2-cyanophenyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854041
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 78810123
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 8918402
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide (CID 43824298) is N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OCCC(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is IONOYKCRTRJKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-7-8-14(2)17(11-13)22-10-9-18(21)20-16-6-4-3-5-15(16)12-19/h3-8,11H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide?
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 294.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 43824298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).