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

C20H22N2O3 — CID 20984576

IUPAC2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
SMILESCc1cccc(OCCOc2ccccc2CCNC(=O)CC#N)c1
InChIInChI=1S/C20H22N2O3/c1-16-5-4-7-18(15-16)24-13-14-25-19-8-3-2-6-17(19)10-12-22-20(23)9-11-21/h2-8,15H,9-10,12-14H2,1H3,(H,22,23)
InChIKeyJGCFLNUHAHAQQZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds9

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

2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide (PubChem CID 20984576) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
PubChem CID20984576
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
SMILESCc1cccc(OCCOc2ccccc2CCNC(=O)CC#N)c1
InChIInChI=1S/C20H22N2O3/c1-16-5-4-7-18(15-16)24-13-14-25-19-8-3-2-6-17(19)10-12-22-20(23)9-11-21/h2-8,15H,9-10,12-14H2,1H3,(H,22,23)
InChIKeyJGCFLNUHAHAQQZ-UHFFFAOYSA-N
XLogP3.03
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22687178
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
2-cyano-N-[2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684620
2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide
CID 22682363
2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20984771
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
2-cyano-N-[2-[4-methoxy-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984190
4-[2-[2-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20987534
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578267
2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22681411
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide (CID 20984576) is 2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide is Cc1cccc(OCCOc2ccccc2CCNC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide?
The InChIKey is JGCFLNUHAHAQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-16-5-4-7-18(15-16)24-13-14-25-19-8-3-2-6-17(19)10-12-22-20(23)9-11-21/h2-8,15H,9-10,12-14H2,1H3,(H,22,23).
What are the key properties of 2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide?
2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide is sourced from PubChem (CID 20984576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).