2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide

C20H21FN2O4 — CID 22682363

IUPAC2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)c(OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN2O4/c1-25-18-5-2-15(9-11-23-20(24)8-10-22)19(14-18)27-13-12-26-17-6-3-16(21)4-7-17/h2-7,14H,8-9,11-13H2,1H3,(H,23,24)
InChIKeyTZAAPBIPHFACGU-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.86
Rot. Bonds10

About 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide

2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide (PubChem CID 22682363) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide
PubChem CID22682363
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CC#N)c(OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN2O4/c1-25-18-5-2-15(9-11-23-20(24)8-10-22)19(14-18)27-13-12-26-17-6-3-16(21)4-7-17/h2-7,14H,8-9,11-13H2,1H3,(H,23,24)
InChIKeyTZAAPBIPHFACGU-UHFFFAOYSA-N
XLogP2.86
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.86
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-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984190
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
CID 22685010
N-[2-[2-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 20988423
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984576
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615942
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
2-cyano-N-[2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]acetamide
CID 20991177
2-cyano-N-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684436
N-[2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]ethyl]-2-cyanoacetamide
CID 22680206
2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990609
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide (CID 22682363) is 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide is COc1ccc(CCNC(=O)CC#N)c(OCCOc2ccc(F)cc2)c1.
What is the InChIKey of 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide?
The InChIKey is TZAAPBIPHFACGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-25-18-5-2-15(9-11-23-20(24)8-10-22)19(14-18)27-13-12-26-17-6-3-16(21)4-7-17/h2-7,14H,8-9,11-13H2,1H3,(H,23,24).
What are the key properties of 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide?
2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide has a molecular weight of 372.40 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide is sourced from PubChem (CID 22682363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).