2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

C22H29N3O — CID 113198136

IUPAC2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCc1ccc(C(C)(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O/c1-17-5-7-18(8-6-17)22(2,3)21(26)23-19-9-11-20(12-10-19)25-15-13-24(4)14-16-25/h5-12H,13-16H2,1-4H3,(H,23,26)
InChIKeyAIXYLDHLAWSUTJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.66
Rot. Bonds4

About 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 113198136) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID113198136
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCc1ccc(C(C)(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O/c1-17-5-7-18(8-6-17)22(2,3)21(26)23-19-9-11-20(12-10-19)25-15-13-24(4)14-16-25/h5-12H,13-16H2,1-4H3,(H,23,26)
InChIKeyAIXYLDHLAWSUTJ-UHFFFAOYSA-N
XLogP3.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide 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

2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
1-(4-tert-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 58441741
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
CID 90767465
2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108967292
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106
1-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108899107
2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113209051
N-[4-(dimethylamino)phenyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198132
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
(2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 30857195
N-(3,5-dimethylphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 113198136) is 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is Cc1ccc(C(C)(C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is AIXYLDHLAWSUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-5-7-18(8-6-17)22(2,3)21(26)23-19-9-11-20(12-10-19)25-15-13-24(4)14-16-25/h5-12H,13-16H2,1-4H3,(H,23,26).
What are the key properties of 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 113198136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).