N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

C21H25N5O3 — CID 108526491

IUPACN'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H25N5O3/c1-15(27)22-17-4-3-5-18(14-17)24-21(29)20(28)23-16-6-8-19(9-7-16)26-12-10-25(2)11-13-26/h3-9,14H,10-13H2,1-2H3,(H,22,27)(H,23,28)(H,24,29)
InChIKeyWQGZWJISYBTHFX-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.97
Rot. Bonds4

About N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (PubChem CID 108526491) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
PubChem CID108526491
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H25N5O3/c1-15(27)22-17-4-3-5-18(14-17)24-21(29)20(28)23-16-6-8-19(9-7-16)26-12-10-25(2)11-13-26/h3-9,14H,10-13H2,1-2H3,(H,22,27)(H,23,28)(H,24,29)
InChIKeyWQGZWJISYBTHFX-UHFFFAOYSA-N
XLogP1.97
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]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'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
(Z)-2,3-dimethyl-4-[4-(4-methylpiperazin-1-yl)anilino]-4-oxobut-2-enoic acid
CID 39201040
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902805
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527589
3-(2,2-dimethylpropanoylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 35371656
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (CID 108526491) is N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The InChIKey is WQGZWJISYBTHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15(27)22-17-4-3-5-18(14-17)24-21(29)20(28)23-16-6-8-19(9-7-16)26-12-10-25(2)11-13-26/h3-9,14H,10-13H2,1-2H3,(H,22,27)(H,23,28)(H,24,29).
What are the key properties of N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide has a molecular weight of 395.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108526491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).