2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide

C14H18N2O3 — CID 106843130

IUPAC2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCCCCO
InChIInChI=1S/C14H18N2O3/c1-11(14(18)16-8-4-5-9-17)19-13-7-3-2-6-12(13)10-15/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyXYJUSZADEJTQDG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.21
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide

2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide (PubChem CID 106843130) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
PubChem CID106843130
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCCCCO
InChIInChI=1S/C14H18N2O3/c1-11(14(18)16-8-4-5-9-17)19-13-7-3-2-6-12(13)10-15/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyXYJUSZADEJTQDG-UHFFFAOYSA-N
XLogP1.21
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
2-(2-cyanophenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 46431848
2-(2-cyanophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480051
N-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352
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
2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115649625
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
CID 112550843

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide (CID 106843130) is 2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide is CC(Oc1ccccc1C#N)C(=O)NCCCCO.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide?
The InChIKey is XYJUSZADEJTQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(14(18)16-8-4-5-9-17)19-13-7-3-2-6-12(13)10-15/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,16,18).
What are the key properties of 2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide?
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.21, 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-hydroxybutyl)propanamide is sourced from PubChem (CID 106843130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).