N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide

C19H19ClN2O4 — CID 20991454

IUPACN-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide
SMILESCOc1cc(CNC(=O)CC#N)ccc1OCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-24-18-12-14(13-22-19(23)8-9-21)2-7-17(18)26-11-10-25-16-5-3-15(20)4-6-16/h2-7,12H,8,10-11,13H2,1H3,(H,22,23)
InChIKeyVDZAADUTJNZIOR-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.34
Rot. Bonds9

About N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide

N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide (PubChem CID 20991454) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide
PubChem CID20991454
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide
SMILESCOc1cc(CNC(=O)CC#N)ccc1OCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-24-18-12-14(13-22-19(23)8-9-21)2-7-17(18)26-11-10-25-16-5-3-15(20)4-6-16/h2-7,12H,8,10-11,13H2,1H3,(H,22,23)
InChIKeyVDZAADUTJNZIOR-UHFFFAOYSA-N
XLogP3.34
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide 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-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990609
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
2-cyano-N-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]acetamide
CID 22683884
2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20989951
N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
CID 20989037
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27250281
2-cyano-N-[[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990961
2-cyano-N-[[4-methoxy-3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22684082
2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 20985064
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide (CID 20991454) is N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide is COc1cc(CNC(=O)CC#N)ccc1OCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide?
The InChIKey is VDZAADUTJNZIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-24-18-12-14(13-22-19(23)8-9-21)2-7-17(18)26-11-10-25-16-5-3-15(20)4-6-16/h2-7,12H,8,10-11,13H2,1H3,(H,22,23).
What are the key properties of N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide?
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide has a molecular weight of 374.82 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 20991454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).