2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide

C17H16N2O3 — CID 110877125

IUPAC2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C17H16N2O3/c1-12(22-16-7-5-13(10-18)6-8-16)17(21)19-15-4-2-3-14(9-15)11-20/h2-9,12,20H,11H2,1H3,(H,19,21)
InChIKeyPRCOUEKBRLEJMR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.46
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide

2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide (PubChem CID 110877125) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
PubChem CID110877125
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C17H16N2O3/c1-12(22-16-7-5-13(10-18)6-8-16)17(21)19-15-4-2-3-14(9-15)11-20/h2-9,12,20H,11H2,1H3,(H,19,21)
InChIKeyPRCOUEKBRLEJMR-UHFFFAOYSA-N
XLogP2.46
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenylmethoxyphenoxy)propanamide
CID 7950503
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 24649964
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
N-[3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 25483945

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide (CID 110877125) is 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide?
The InChIKey is PRCOUEKBRLEJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(22-16-7-5-13(10-18)6-8-16)17(21)19-15-4-2-3-14(9-15)11-20/h2-9,12,20H,11H2,1H3,(H,19,21).
What are the key properties of 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide?
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide has a molecular weight of 296.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 110877125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).