N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide

C22H28N4O2 — CID 42268265

IUPACN'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-18-7-9-19(10-8-18)17-24-22(28)21(27)23-11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyJAOSXCYNKJHJLC-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.55
Rot. Bonds6

About N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide

N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide (PubChem CID 42268265) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
PubChem CID42268265
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-18-7-9-19(10-8-18)17-24-22(28)21(27)23-11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyJAOSXCYNKJHJLC-UHFFFAOYSA-N
XLogP1.55
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide 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-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268601
N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108517726
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268287
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide (CID 42268265) is N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is JAOSXCYNKJHJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-18-7-9-19(10-8-18)17-24-22(28)21(27)23-11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 380.49 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 42268265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).