N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

C23H30N4O2 — CID 108527589

IUPACN'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCN1CCN(c2ccc(NC(=O)C(=O)Nc3ccccc3C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H30N4O2/c1-23(2,3)19-7-5-6-8-20(19)25-22(29)21(28)24-17-9-11-18(12-10-17)27-15-13-26(4)14-16-27/h5-12H,13-16H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyQWPZDYHCSYOREZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.31
Rot. Bonds3

About N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (PubChem CID 108527589) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
PubChem CID108527589
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCN1CCN(c2ccc(NC(=O)C(=O)Nc3ccccc3C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H30N4O2/c1-23(2,3)19-7-5-6-8-20(19)25-22(29)21(28)24-17-9-11-18(12-10-17)27-15-13-26(4)14-16-27/h5-12H,13-16H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyQWPZDYHCSYOREZ-UHFFFAOYSA-N
XLogP3.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.31
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'}

Analyze N'-(2-tert-butylphenyl)-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-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008238
2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108967292
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
1-(4-tert-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 58441741
N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108984636
N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008236
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108526491
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
N-[(2-methoxyphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527615
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
(Z)-2,3-dimethyl-4-[4-(4-methylpiperazin-1-yl)anilino]-4-oxobut-2-enoic acid
CID 39201040
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (CID 108527589) is N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is CN1CCN(c2ccc(NC(=O)C(=O)Nc3ccccc3C(C)(C)C)cc2)CC1.
What is the InChIKey of N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The InChIKey is QWPZDYHCSYOREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-23(2,3)19-7-5-6-8-20(19)25-22(29)21(28)24-17-9-11-18(12-10-17)27-15-13-26(4)14-16-27/h5-12H,13-16H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide has a molecular weight of 394.52 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108527589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).