2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide

C14H16N2O3 — CID 103567041

IUPAC2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide
SMILESCOc1cc(C#N)cc(OC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C14H16N2O3/c1-9(14(17)16-11-3-4-11)19-13-6-10(8-15)5-12(7-13)18-2/h5-7,9,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyIGRFYVYZTKUVER-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.61
Rot. Bonds5

About 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide

2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide (PubChem CID 103567041) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide
PubChem CID103567041
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide
SMILESCOc1cc(C#N)cc(OC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C14H16N2O3/c1-9(14(17)16-11-3-4-11)19-13-6-10(8-15)5-12(7-13)18-2/h5-7,9,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyIGRFYVYZTKUVER-UHFFFAOYSA-N
XLogP1.61
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
2-(3-cyano-5-methoxyphenoxy)-N-(ethylcarbamoyl)propanamide
CID 103566927
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide
CID 4808213
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 103520360
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide
CID 61269208
(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 40855971
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
2-(4-methoxyphenoxy)-N-(3-methylcyclopentyl)propanamide
CID 114549547
2-(2-acetyl-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 78906259

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide (CID 103567041) is 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide is COc1cc(C#N)cc(OC(C)C(=O)NC2CC2)c1.
What is the InChIKey of 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide?
The InChIKey is IGRFYVYZTKUVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(14(17)16-11-3-4-11)19-13-6-10(8-15)5-12(7-13)18-2/h5-7,9,11H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide?
2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide has a molecular weight of 260.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-methoxyphenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 103567041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).