2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C22H28N4O2 — CID 113167414

IUPAC2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1C
InChIInChI=1S/C22H28N4O2/c1-17-6-4-5-7-21(17)26(18(2)27)16-22(28)23-19-8-10-20(11-9-19)25-14-12-24(3)13-15-25/h4-11H,12-16H2,1-3H3,(H,23,28)
InChIKeyMDZBEAOKJPRSLP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.74
Rot. Bonds5

About 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 113167414) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID113167414
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1C
InChIInChI=1S/C22H28N4O2/c1-17-6-4-5-7-21(17)26(18(2)27)16-22(28)23-19-8-10-20(11-9-19)25-14-12-24(3)13-15-25/h4-11H,12-16H2,1-3H3,(H,23,28)
InChIKeyMDZBEAOKJPRSLP-UHFFFAOYSA-N
XLogP2.74
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.74
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-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]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

2-(N-acetyl-2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113168004
2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113170522
2-(N-acetyl-2-methylanilino)-N-(4-phenoxyphenyl)acetamide
CID 113167416
2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113162094
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53280357
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide
CID 113177416
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53283554
2-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113163705
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 113167414) is 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1C.
What is the InChIKey of 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is MDZBEAOKJPRSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-6-4-5-7-21(17)26(18(2)27)16-22(28)23-19-8-10-20(11-9-19)25-14-12-24(3)13-15-25/h4-11H,12-16H2,1-3H3,(H,23,28).
What are the key properties of 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113167414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).