2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide

C17H24N2O3 — CID 111480051

IUPAC2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)C(C)Oc1ccccc1C#N
InChIInChI=1S/C17H24N2O3/c1-12(20)9-17(3,4)11-19-16(21)13(2)22-15-8-6-5-7-14(15)10-18/h5-8,12-13,20H,9,11H2,1-4H3,(H,19,21)
InChIKeyBRKJBKNZODNVND-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.24
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide

2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide (PubChem CID 111480051) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
PubChem CID111480051
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)C(C)Oc1ccccc1C#N
InChIInChI=1S/C17H24N2O3/c1-12(20)9-17(3,4)11-19-16(21)13(2)22-15-8-6-5-7-14(15)10-18/h5-8,12-13,20H,9,11H2,1-4H3,(H,19,21)
InChIKeyBRKJBKNZODNVND-UHFFFAOYSA-N
XLogP2.24
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.24
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-(2-hydroxy-2-methylpentyl)propanamide
CID 103712947
2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
CID 115884445
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364
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
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
3,3-dimethylbutyl 2-(2-cyanophenoxy)propanoate
CID 78858515

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide (CID 111480051) is 2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide is CC(O)CC(C)(C)CNC(=O)C(C)Oc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
The InChIKey is BRKJBKNZODNVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(20)9-17(3,4)11-19-16(21)13(2)22-15-8-6-5-7-14(15)10-18/h5-8,12-13,20H,9,11H2,1-4H3,(H,19,21).
What are the key properties of 2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 2.24, 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-(4-hydroxy-2,2-dimethylpentyl)propanamide is sourced from PubChem (CID 111480051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).