2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C23H28N4O — CID 55841564

IUPAC2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(C#N)cc1
InChIInChI=1S/C23H28N4O/c1-2-13-26(17-20-7-5-19(16-24)6-8-20)18-23(28)25-21-9-11-22(12-10-21)27-14-3-4-15-27/h5-12H,2-4,13-15,17-18H2,1H3,(H,25,28)
InChIKeyWZBZVPSGHMJHSX-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.01
Rot. Bonds8

About 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 55841564) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID55841564
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(C#N)cc1
InChIInChI=1S/C23H28N4O/c1-2-13-26(17-20-7-5-19(16-24)6-8-20)18-23(28)25-21-9-11-22(12-10-21)27-14-3-4-15-27/h5-12H,2-4,13-15,17-18H2,1H3,(H,25,28)
InChIKeyWZBZVPSGHMJHSX-UHFFFAOYSA-N
XLogP4.01
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide 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

N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691467
ethyl 2-[(4-fluorophenyl)methyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]acetate
CID 49435772
2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109006153
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 31994583
2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110881174
1-(4-cyanophenyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 38275681
N-(2-chlorophenyl)-2-[(4-cyanophenyl)methyl-propylamino]acetamide
CID 47056009
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52682345

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 55841564) is 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is CCCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is WZBZVPSGHMJHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-13-26(17-20-7-5-19(16-24)6-8-20)18-23(28)25-21-9-11-22(12-10-21)27-14-3-4-15-27/h5-12H,2-4,13-15,17-18H2,1H3,(H,25,28).
What are the key properties of 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 376.50 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 55841564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).