2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide

C14H18N2O3 — CID 65110496

IUPAC2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCC(C)(C)O
InChIInChI=1S/C14H18N2O3/c1-10(13(17)16-9-14(2,3)18)19-12-7-5-4-6-11(12)8-15/h4-7,10,18H,9H2,1-3H3,(H,16,17)
InChIKeyINRXBPUGSBCDJA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.21
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide

2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 65110496) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID65110496
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCC(C)(C)O
InChIInChI=1S/C14H18N2O3/c1-10(13(17)16-9-14(2,3)18)19-12-7-5-4-6-11(12)8-15/h4-7,10,18H,9H2,1-3H3,(H,16,17)
InChIKeyINRXBPUGSBCDJA-UHFFFAOYSA-N
XLogP1.21
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103712947
2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480051
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
CID 115884445
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
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
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55614028
3,3-dimethylbutyl 2-(2-cyanophenoxy)propanoate
CID 78858515

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide (CID 65110496) is 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide is CC(Oc1ccccc1C#N)C(=O)NCC(C)(C)O.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is INRXBPUGSBCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(13(17)16-9-14(2,3)18)19-12-7-5-4-6-11(12)8-15/h4-7,10,18H,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.21, 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-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 65110496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).