N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

C21H26N4O2 — CID 108527636

IUPACN'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-15-5-4-6-16(2)19(15)23-21(27)20(26)22-17-7-9-18(10-8-17)25-13-11-24(3)12-14-25/h4-10H,11-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyWVVRCUVZWZVUGJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.63
Rot. Bonds3

About N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (PubChem CID 108527636) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
PubChem CID108527636
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-15-5-4-6-16(2)19(15)23-21(27)20(26)22-17-7-9-18(10-8-17)25-13-11-24(3)12-14-25/h4-10H,11-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyWVVRCUVZWZVUGJ-UHFFFAOYSA-N
XLogP2.63
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.63
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

1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108984636
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108526491
1-(2-ethyl-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991582
(Z)-2,3-dimethyl-4-[4-(4-methylpiperazin-1-yl)anilino]-4-oxobut-2-enoic acid
CID 39201040
2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108967292
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986873
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527589
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 38925563

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (CID 108527636) is N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is Cc1cccc(C)c1NC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The InChIKey is WVVRCUVZWZVUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-5-4-6-16(2)19(15)23-21(27)20(26)22-17-7-9-18(10-8-17)25-13-11-24(3)12-14-25/h4-10H,11-14H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide has a molecular weight of 366.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108527636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).