2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide

C17H16N2O3 — CID 20984709

IUPAC2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)CC#N)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-21-14-6-8-16(9-7-14)22-15-4-2-13(3-5-15)12-19-17(20)10-11-18/h2-9H,10,12H2,1H3,(H,19,20)
InChIKeySNGDRYQRTUFRKJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.02
Rot. Bonds6

About 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide

2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide (PubChem CID 20984709) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
PubChem CID20984709
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)CC#N)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-21-14-6-8-16(9-7-14)22-15-4-2-13(3-5-15)12-19-17(20)10-11-18/h2-9H,10,12H2,1H3,(H,19,20)
InChIKeySNGDRYQRTUFRKJ-UHFFFAOYSA-N
XLogP3.02
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]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-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide
CID 22684691
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
CID 20985387
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990609
2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 20985064
4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 82178795
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-methoxybenzamide
CID 108537249
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide (CID 20984709) is 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide is COc1ccc(Oc2ccc(CNC(=O)CC#N)cc2)cc1.
What is the InChIKey of 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide?
The InChIKey is SNGDRYQRTUFRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-14-6-8-16(9-7-14)22-15-4-2-13(3-5-15)12-19-17(20)10-11-18/h2-9H,10,12H2,1H3,(H,19,20).
What are the key properties of 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide?
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 20984709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).