2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide

C17H22N2O3 — CID 4808213

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide
SMILESCOc1cc(C#N)ccc1OC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-12(17(20)19-14-6-4-3-5-7-14)22-15-9-8-13(11-18)10-16(15)21-2/h8-10,12,14H,3-7H2,1-2H3,(H,19,20)
InChIKeyDFOQZBDUWBVIBR-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide

2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide (PubChem CID 4808213) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide
PubChem CID4808213
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide
SMILESCOc1cc(C#N)ccc1OC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-12(17(20)19-14-6-4-3-5-7-14)22-15-9-8-13(11-18)10-16(15)21-2/h8-10,12,14H,3-7H2,1-2H3,(H,19,20)
InChIKeyDFOQZBDUWBVIBR-UHFFFAOYSA-N
XLogP2.78
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7993066
(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 95164217
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
CID 43112207
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7757422
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide (CID 4808213) is 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide is COc1cc(C#N)ccc1OC(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide?
The InChIKey is DFOQZBDUWBVIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(17(20)19-14-6-4-3-5-7-14)22-15-9-8-13(11-18)10-16(15)21-2/h8-10,12,14H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide?
2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide has a molecular weight of 302.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide is sourced from PubChem (CID 4808213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).