2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide

C18H16N2O3 — CID 17450699

IUPAC2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)15-6-8-17(9-7-15)23-13(2)18(22)20-16-5-3-4-14(10-16)11-19/h3-10,13H,1-2H3,(H,20,22)
InChIKeyDYRFXOHKMDKCHF-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide

2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide (PubChem CID 17450699) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
PubChem CID17450699
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H16N2O3/c1-12(21)15-6-8-17(9-7-15)23-13(2)18(22)20-16-5-3-4-14(10-16)11-19/h3-10,13H,1-2H3,(H,20,22)
InChIKeyDYRFXOHKMDKCHF-UHFFFAOYSA-N
XLogP3.17
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977782
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977779
(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide
CID 26517522
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7556052

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide (CID 17450699) is 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide is CC(=O)c1ccc(OC(C)C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide?
The InChIKey is DYRFXOHKMDKCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)15-6-8-17(9-7-15)23-13(2)18(22)20-16-5-3-4-14(10-16)11-19/h3-10,13H,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide?
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide has a molecular weight of 308.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 17450699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).