N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide

C21H26N4O3 — CID 167885279

IUPACN'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide
SMILESCOc1cc(C)cc(NC(=O)C(=O)Nc2ccc(N3CCNCC3)cc2)c1C
InChIInChI=1S/C21H26N4O3/c1-14-12-18(15(2)19(13-14)28-3)24-21(27)20(26)23-16-4-6-17(7-5-16)25-10-8-22-9-11-25/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVALLUNISVQVTGC-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.30
Rot. Bonds4

About N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide

N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide (PubChem CID 167885279) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide
PubChem CID167885279
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide
SMILESCOc1cc(C)cc(NC(=O)C(=O)Nc2ccc(N3CCNCC3)cc2)c1C
InChIInChI=1S/C21H26N4O3/c1-14-12-18(15(2)19(13-14)28-3)24-21(27)20(26)23-16-4-6-17(7-5-16)25-10-8-22-9-11-25/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVALLUNISVQVTGC-UHFFFAOYSA-N
XLogP2.30
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.30
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-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)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

1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987415
1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69451114
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108522705
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550487
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
2-bromo-N-(4-piperazin-1-ylphenyl)propanamide
CID 57161707
N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986873
2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
1-N'-(2-methoxy-5-methylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983207
N-(3-fluoro-4-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 43381036
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide?
The IUPAC name of N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide (CID 167885279) is N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide?
The canonical SMILES for N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide is COc1cc(C)cc(NC(=O)C(=O)Nc2ccc(N3CCNCC3)cc2)c1C.
What is the InChIKey of N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide?
The InChIKey is VALLUNISVQVTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-12-18(15(2)19(13-14)28-3)24-21(27)20(26)23-16-4-6-17(7-5-16)25-10-8-22-9-11-25/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide?
N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide has a molecular weight of 382.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide is sourced from PubChem (CID 167885279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).