2-(4-amino-2-cyanophenoxy)-N-propylpropanamide

C13H17N3O2 — CID 61268838

IUPAC2-(4-amino-2-cyanophenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(N)cc1C#N
InChIInChI=1S/C13H17N3O2/c1-3-6-16-13(17)9(2)18-12-5-4-11(15)7-10(12)8-14/h4-5,7,9H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyBQXMGOMZRUYNKT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.43
Rot. Bonds5

About 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide

2-(4-amino-2-cyanophenoxy)-N-propylpropanamide (PubChem CID 61268838) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-cyanophenoxy)-N-propylpropanamide
PubChem CID61268838
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(4-amino-2-cyanophenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(N)cc1C#N
InChIInChI=1S/C13H17N3O2/c1-3-6-16-13(17)9(2)18-12-5-4-11(15)7-10(12)8-14/h4-5,7,9H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyBQXMGOMZRUYNKT-UHFFFAOYSA-N
XLogP1.43
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide 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-amino-2-cyanophenoxy)-N-pentylpropanamide
CID 61269021
2-(4-amino-2-cyanophenoxy)-N-cyclopropylpropanamide
CID 61269208
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide
CID 61388884
2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide
CID 83145925
5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide
CID 106956230
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
CID 55068252
2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide
CID 112699627
N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
CID 79822692
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
CID 55061966
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide?
The IUPAC name of 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide (CID 61268838) is 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide.
What is the SMILES notation for 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide?
The canonical SMILES for 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(N)cc1C#N.
What is the InChIKey of 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide?
The InChIKey is BQXMGOMZRUYNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-6-16-13(17)9(2)18-12-5-4-11(15)7-10(12)8-14/h4-5,7,9H,3,6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide?
2-(4-amino-2-cyanophenoxy)-N-propylpropanamide has a molecular weight of 247.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-cyanophenoxy)-N-propylpropanamide is sourced from PubChem (CID 61268838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).