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

C16H22N2O3 — CID 103712947

IUPAC2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide
SMILESCCCC(C)(O)CNC(=O)C(C)Oc1ccccc1C#N
InChIInChI=1S/C16H22N2O3/c1-4-9-16(3,20)11-18-15(19)12(2)21-14-8-6-5-7-13(14)10-17/h5-8,12,20H,4,9,11H2,1-3H3,(H,18,19)
InChIKeyJYUHCNYMYLIDMK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.99
Rot. Bonds7

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

2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide (PubChem CID 103712947) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide
PubChem CID103712947
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide
SMILESCCCC(C)(O)CNC(=O)C(C)Oc1ccccc1C#N
InChIInChI=1S/C16H22N2O3/c1-4-9-16(3,20)11-18-15(19)12(2)21-14-8-6-5-7-13(14)10-17/h5-8,12,20H,4,9,11H2,1-3H3,(H,18,19)
InChIKeyJYUHCNYMYLIDMK-UHFFFAOYSA-N
XLogP1.99
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.99
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-(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
2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114505
(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
CID 43469183
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364
3,3-dimethylbutyl 2-(2-cyanophenoxy)propanoate
CID 78858515
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide (CID 103712947) is 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide is CCCC(C)(O)CNC(=O)C(C)Oc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide?
The InChIKey is JYUHCNYMYLIDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-9-16(3,20)11-18-15(19)12(2)21-14-8-6-5-7-13(14)10-17/h5-8,12,20H,4,9,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide?
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpentyl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 1.99, 7 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-methylpentyl)propanamide is sourced from PubChem (CID 103712947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).