N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide

C20H26N4O — CID 109010337

IUPACN-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESCN(C)c1ccc(NC(=O)CNc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H26N4O/c1-23(2)18-9-7-17(8-10-18)22-20(25)15-21-16-5-11-19(12-6-16)24-13-3-4-14-24/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,25)
InChIKeyKGNJNYMBOZVLNG-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.40
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide

N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 109010337) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
PubChem CID109010337
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESCN(C)c1ccc(NC(=O)CNc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H26N4O/c1-23(2)18-9-7-17(8-10-18)22-20(25)15-21-16-5-11-19(12-6-16)24-13-3-4-14-24/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,25)
InChIKeyKGNJNYMBOZVLNG-UHFFFAOYSA-N
XLogP3.40
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)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-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide (CID 109010337) is N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide is CN(C)c1ccc(NC(=O)CNc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is KGNJNYMBOZVLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(2)18-9-7-17(8-10-18)22-20(25)15-21-16-5-11-19(12-6-16)24-13-3-4-14-24/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide?
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 338.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 109010337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).