2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C17H21N3O3 — CID 43010252

IUPAC2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C17H21N3O3/c1-13(23-15-7-5-14(12-18)6-8-15)17(22)19-9-3-11-20-10-2-4-16(20)21/h5-8,13H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyYJGRSTOHEFWLFB-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.45
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 43010252) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID43010252
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C17H21N3O3/c1-13(23-15-7-5-14(12-18)6-8-15)17(22)19-9-3-11-20-10-2-4-16(20)21/h5-8,13H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyYJGRSTOHEFWLFB-UHFFFAOYSA-N
XLogP1.45
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 42992476
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983707
4-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propoxy]benzonitrile
CID 4968790
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545
2-(4-cyanophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 46577048
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46522155
(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 94796902
2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide
CID 51222307
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411
(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312
(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide
CID 40718916

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 43010252) is 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is YJGRSTOHEFWLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13(23-15-7-5-14(12-18)6-8-15)17(22)19-9-3-11-20-10-2-4-16(20)21/h5-8,13H,2-4,9-11H2,1H3,(H,19,22).
What are the key properties of 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 315.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 43010252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).