2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide

C18H18N2O3 — CID 22684691

IUPAC2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide
SMILESCOc1ccc(Oc2ccc(CCNC(=O)CC#N)cc2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-15-6-8-17(9-7-15)23-16-4-2-14(3-5-16)11-13-20-18(21)10-12-19/h2-9H,10-11,13H2,1H3,(H,20,21)
InChIKeyXPOPNCVGOSPDGZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.06
Rot. Bonds7

About 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide

2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide (PubChem CID 22684691) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide
PubChem CID22684691
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide
SMILESCOc1ccc(Oc2ccc(CCNC(=O)CC#N)cc2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-15-6-8-17(9-7-15)23-16-4-2-14(3-5-16)11-13-20-18(21)10-12-19/h2-9H,10-11,13H2,1H3,(H,20,21)
InChIKeyXPOPNCVGOSPDGZ-UHFFFAOYSA-N
XLogP3.06
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
N-[2-[4-(2-tert-butyl-4-methoxyphenoxy)phenyl]ethyl]-2-cyanoacetamide
CID 22687035
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-methoxybenzamide
CID 108537249
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide
CID 22684460
2-cyano-N-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684436
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
2-cyano-N-[2-[4-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20990071

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide (CID 22684691) is 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide is COc1ccc(Oc2ccc(CCNC(=O)CC#N)cc2)cc1.
What is the InChIKey of 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide?
The InChIKey is XPOPNCVGOSPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-15-6-8-17(9-7-15)23-16-4-2-14(3-5-16)11-13-20-18(21)10-12-19/h2-9H,10-11,13H2,1H3,(H,20,21).
What are the key properties of 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide?
2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide has a molecular weight of 310.35 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 22684691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).