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

C21H24N2O4 — CID 20989951

IUPAC2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide
SMILESCCOc1cc(CNC(=O)CC#N)ccc1OCCOc1ccc(C)cc1
InChIInChI=1S/C21H24N2O4/c1-3-25-20-14-17(15-23-21(24)10-11-22)6-9-19(20)27-13-12-26-18-7-4-16(2)5-8-18/h4-9,14H,3,10,12-13,15H2,1-2H3,(H,23,24)
InChIKeyZTHTWLWZNQLIMI-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.38
Rot. Bonds10

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

2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide (PubChem CID 20989951) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide
PubChem CID20989951
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide
SMILESCCOc1cc(CNC(=O)CC#N)ccc1OCCOc1ccc(C)cc1
InChIInChI=1S/C21H24N2O4/c1-3-25-20-14-17(15-23-21(24)10-11-22)6-9-19(20)27-13-12-26-18-7-4-16(2)5-8-18/h4-9,14H,3,10,12-13,15H2,1-2H3,(H,23,24)
InChIKeyZTHTWLWZNQLIMI-UHFFFAOYSA-N
XLogP3.38
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990961
2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990609
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20991454
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[[4-methoxy-3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22684082
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-cyanoacetamide
CID 20994358
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-cyano-N-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22687439
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

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide (CID 20989951) is 2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide is CCOc1cc(CNC(=O)CC#N)ccc1OCCOc1ccc(C)cc1.
What is the InChIKey of 2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide?
The InChIKey is ZTHTWLWZNQLIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-25-20-14-17(15-23-21(24)10-11-22)6-9-19(20)27-13-12-26-18-7-4-16(2)5-8-18/h4-9,14H,3,10,12-13,15H2,1-2H3,(H,23,24).
What are the key properties of 2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide?
2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 20989951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).