2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide

C15H20N2O3 — CID 115884445

IUPAC2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NC(C)(C)C(C)O
InChIInChI=1S/C15H20N2O3/c1-10(14(19)17-15(3,4)11(2)18)20-13-8-6-5-7-12(13)9-16/h5-8,10-11,18H,1-4H3,(H,17,19)
InChIKeyNANWMIVDDRRDIB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.60
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide

2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 115884445) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID115884445
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NC(C)(C)C(C)O
InChIInChI=1S/C15H20N2O3/c1-10(14(19)17-15(3,4)11(2)18)20-13-8-6-5-7-12(13)9-16/h5-8,10-11,18H,1-4H3,(H,17,19)
InChIKeyNANWMIVDDRRDIB-UHFFFAOYSA-N
XLogP1.60
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480051
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide
CID 46597620
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103712947
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
CID 112550843
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
CID 43469183

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide (CID 115884445) is 2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide is CC(Oc1ccccc1C#N)C(=O)NC(C)(C)C(C)O.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is NANWMIVDDRRDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(14(19)17-15(3,4)11(2)18)20-13-8-6-5-7-12(13)9-16/h5-8,10-11,18H,1-4H3,(H,17,19).
What are the key properties of 2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide?
2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.60, 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-(3-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 115884445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).