2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide

C20H22N2O5 — CID 20990609

IUPAC2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
SMILESCOc1ccc(OCCOc2cc(CNC(=O)CC#N)ccc2OC)cc1
InChIInChI=1S/C20H22N2O5/c1-24-16-4-6-17(7-5-16)26-11-12-27-19-13-15(3-8-18(19)25-2)14-22-20(23)9-10-21/h3-8,13H,9,11-12,14H2,1-2H3,(H,22,23)
InChIKeyPPMALKMAZXGVNF-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.69
Rot. Bonds10

About 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide

2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide (PubChem CID 20990609) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
PubChem CID20990609
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
SMILESCOc1ccc(OCCOc2cc(CNC(=O)CC#N)ccc2OC)cc1
InChIInChI=1S/C20H22N2O5/c1-24-16-4-6-17(7-5-16)26-11-12-27-19-13-15(3-8-18(19)25-2)14-22-20(23)9-10-21/h3-8,13H,9,11-12,14H2,1-2H3,(H,22,23)
InChIKeyPPMALKMAZXGVNF-UHFFFAOYSA-N
XLogP2.69
TPSA89.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]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

N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20991454
2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20989951
2-cyano-N-[[4-methoxy-3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22684082
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
2-cyano-N-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]acetamide
CID 22683884
2-cyano-N-[[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990961
2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 20985064
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
CID 22686514
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide (CID 20990609) is 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide is COc1ccc(OCCOc2cc(CNC(=O)CC#N)ccc2OC)cc1.
What is the InChIKey of 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide?
The InChIKey is PPMALKMAZXGVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-24-16-4-6-17(7-5-16)26-11-12-27-19-13-15(3-8-18(19)25-2)14-22-20(23)9-10-21/h3-8,13H,9,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide?
2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 20990609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).