2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide

C21H22N2O2 — CID 67818022

IUPAC2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1Oc1ccccc1C1CCCCC1
InChIInChI=1S/C21H22N2O2/c22-15-14-21(24)23-18-11-5-7-13-20(18)25-19-12-6-4-10-17(19)16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14H2,(H,23,24)
InChIKeyGLMMPZSPRPZGSV-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.38
Rot. Bonds5

About 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide

2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide (PubChem CID 67818022) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide
PubChem CID67818022
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1Oc1ccccc1C1CCCCC1
InChIInChI=1S/C21H22N2O2/c22-15-14-21(24)23-18-11-5-7-13-20(18)25-19-12-6-4-10-17(19)16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14H2,(H,23,24)
InChIKeyGLMMPZSPRPZGSV-UHFFFAOYSA-N
XLogP5.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
CID 108923007
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941
2-cyano-N-(2-pyridin-3-yloxyphenyl)acetamide
CID 168521073
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
(2-cyclopentylphenyl)urea
CID 154512225
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide
CID 168522226
1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
CID 43369639
1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid
CID 69454986
(2-phenoxyphenyl)cycloheptane
CID 56995549
2-cyano-N-[2-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 168521174
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide (CID 67818022) is 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide is N#CCC(=O)Nc1ccccc1Oc1ccccc1C1CCCCC1.
What is the InChIKey of 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide?
The InChIKey is GLMMPZSPRPZGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c22-15-14-21(24)23-18-11-5-7-13-20(18)25-19-12-6-4-10-17(19)16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14H2,(H,23,24).
What are the key properties of 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide?
2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-cyclohexylphenoxy)phenyl]acetamide is sourced from PubChem (CID 67818022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).