2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide

C19H20N2O3 — CID 111334999

IUPAC2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-14(24-17-10-6-7-15(11-17)12-20)18(22)21-13-19(2,23)16-8-4-3-5-9-16/h3-11,14,23H,13H2,1-2H3,(H,21,22)
InChIKeyAGYFJVLZDTZDLM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.35
Rot. Bonds6

About 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide

2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide (PubChem CID 111334999) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
PubChem CID111334999
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-14(24-17-10-6-7-15(11-17)12-20)18(22)21-13-19(2,23)16-8-4-3-5-9-16/h3-11,14,23H,13H2,1-2H3,(H,21,22)
InChIKeyAGYFJVLZDTZDLM-UHFFFAOYSA-N
XLogP2.35
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
CID 111485127
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
N-(2,2-diphenylpropyl)-2-(3-methylphenoxy)propanamide
CID 18272008
2-(3-cyanophenoxy)-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86843627
(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 7964302
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
(2R)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964177
(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964176
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide
CID 86921453

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide (CID 111334999) is 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide is CC(Oc1cccc(C#N)c1)C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide?
The InChIKey is AGYFJVLZDTZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14(24-17-10-6-7-15(11-17)12-20)18(22)21-13-19(2,23)16-8-4-3-5-9-16/h3-11,14,23H,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide?
2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide is sourced from PubChem (CID 111334999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).