N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide

C20H24N4O3 — CID 108522831

IUPACN-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide
SMILESNc1ccc(N(C(=O)C(=O)N2CCN(CCO)CC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N4O3/c21-16-6-8-18(9-7-16)24(17-4-2-1-3-5-17)20(27)19(26)23-12-10-22(11-13-23)14-15-25/h1-9,25H,10-15,21H2
InChIKeyCSGUJOXIYOYWLG-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.07
Rot. Bonds4

About N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide

N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide (PubChem CID 108522831) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide
PubChem CID108522831
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide
SMILESNc1ccc(N(C(=O)C(=O)N2CCN(CCO)CC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N4O3/c21-16-6-8-18(9-7-16)24(17-4-2-1-3-5-17)20(27)19(26)23-12-10-22(11-13-23)14-15-25/h1-9,25H,10-15,21H2
InChIKeyCSGUJOXIYOYWLG-UHFFFAOYSA-N
XLogP1.07
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide (CID 108522831) is N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide is Nc1ccc(N(C(=O)C(=O)N2CCN(CCO)CC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide?
The InChIKey is CSGUJOXIYOYWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-16-6-8-18(9-7-16)24(17-4-2-1-3-5-17)20(27)19(26)23-12-10-22(11-13-23)14-15-25/h1-9,25H,10-15,21H2.
What are the key properties of N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide?
N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide has a molecular weight of 368.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 108522831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).