2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide

C13H16N2O3 — CID 83030552

IUPAC2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NC[C@H](C)O
InChIInChI=1S/C13H16N2O3/c1-9(16)8-15-13(17)10(2)18-12-6-4-3-5-11(12)7-14/h3-6,9-10,16H,8H2,1-2H3,(H,15,17)/t9-,10?/m0/s1
InChIKeyPOHURSHTWQVWMJ-RGURZIINSA-N
MW248.28 g/mol
LogP0.82
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide

2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide (PubChem CID 83030552) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
PubChem CID83030552
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NC[C@H](C)O
InChIInChI=1S/C13H16N2O3/c1-9(16)8-15-13(17)10(2)18-12-6-4-3-5-11(12)7-14/h3-6,9-10,16H,8H2,1-2H3,(H,15,17)/t9-,10?/m0/s1
InChIKeyPOHURSHTWQVWMJ-RGURZIINSA-N
XLogP0.82
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480051
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
CID 115884445
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103712947
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
CID 112550843
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
CID 43469183
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide (CID 83030552) is 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide is CC(Oc1ccccc1C#N)C(=O)NC[C@H](C)O.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide?
The InChIKey is POHURSHTWQVWMJ-RGURZIINSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)8-15-13(17)10(2)18-12-6-4-3-5-11(12)7-14/h3-6,9-10,16H,8H2,1-2H3,(H,15,17)/t9-,10?/m0/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide?
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide has a molecular weight of 248.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 83030552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).