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

C21H26N4O2 — CID 108984636

IUPACN-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-16-5-3-4-6-17(16)15-22-20(26)21(27)23-18-7-9-19(10-8-18)25-13-11-24(2)12-14-25/h3-10H,11-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyASWRRCAXIXEKKJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.00
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (PubChem CID 108984636) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
PubChem CID108984636
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-16-5-3-4-6-17(16)15-22-20(26)21(27)23-18-7-9-19(10-8-18)25-13-11-24(2)12-14-25/h3-10H,11-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyASWRRCAXIXEKKJ-UHFFFAOYSA-N
XLogP2.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527615
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109019204
N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108985391
1-(2-ethyl-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991582
N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527589
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
N-(1,3-benzodioxol-5-ylmethyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108508570

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (CID 108984636) is N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is Cc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The InChIKey is ASWRRCAXIXEKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-5-3-4-6-17(16)15-22-20(26)21(27)23-18-7-9-19(10-8-18)25-13-11-24(2)12-14-25/h3-10H,11-15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide has a molecular weight of 366.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108984636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).