2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide

C17H16N2O3 — CID 51140373

IUPAC2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)C(C)Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H16N2O3/c1-12(22-15-8-6-13(11-18)7-9-15)17(20)19-14-4-3-5-16(10-14)21-2/h3-10,12H,1-2H3,(H,19,20)
InChIKeyOWIIXPSTAWGZAK-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide

2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide (PubChem CID 51140373) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
PubChem CID51140373
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)C(C)Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H16N2O3/c1-12(22-15-8-6-13(11-18)7-9-15)17(20)19-14-4-3-5-16(10-14)21-2/h3-10,12H,1-2H3,(H,19,20)
InChIKeyOWIIXPSTAWGZAK-UHFFFAOYSA-N
XLogP2.97
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 24649964
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide (CID 51140373) is 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)C(C)Oc2ccc(C#N)cc2)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide?
The InChIKey is OWIIXPSTAWGZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(22-15-8-6-13(11-18)7-9-15)17(20)19-14-4-3-5-16(10-14)21-2/h3-10,12H,1-2H3,(H,19,20).
What are the key properties of 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide?
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide has a molecular weight of 296.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 51140373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).