2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide

C22H26N2O5 — CID 20984771

IUPAC2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
SMILESCCOc1ccccc1OCCOc1c(CCNC(=O)CC#N)cccc1OC
InChIInChI=1S/C22H26N2O5/c1-3-27-18-8-4-5-9-19(18)28-15-16-29-22-17(7-6-10-20(22)26-2)12-14-24-21(25)11-13-23/h4-10H,3,11-12,14-16H2,1-2H3,(H,24,25)
InChIKeyDEQDWOPAPBGVKI-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.12
Rot. Bonds12

About 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide

2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide (PubChem CID 20984771) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
PubChem CID20984771
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
SMILESCCOc1ccccc1OCCOc1c(CCNC(=O)CC#N)cccc1OC
InChIInChI=1S/C22H26N2O5/c1-3-27-18-8-4-5-9-19(18)28-15-16-29-22-17(7-6-10-20(22)26-2)12-14-24-21(25)11-13-23/h4-10H,3,11-12,14-16H2,1-2H3,(H,24,25)
InChIKeyDEQDWOPAPBGVKI-UHFFFAOYSA-N
XLogP3.12
TPSA89.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
CID 22686324
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298
2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20990085
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632
2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984576
2-cyano-N-[[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990961
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984190
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide
CID 60879269
2-cyano-N-[[3-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]acetamide
CID 22685929

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide (CID 20984771) is 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide is CCOc1ccccc1OCCOc1c(CCNC(=O)CC#N)cccc1OC.
What is the InChIKey of 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide?
The InChIKey is DEQDWOPAPBGVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-27-18-8-4-5-9-19(18)28-15-16-29-22-17(7-6-10-20(22)26-2)12-14-24-21(25)11-13-23/h4-10H,3,11-12,14-16H2,1-2H3,(H,24,25).
What are the key properties of 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide?
2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.12, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide is sourced from PubChem (CID 20984771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).