2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide

C23H30N4O2 — CID 108967292

IUPAC2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
SMILESCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-7-5-6-8-20(17)25-22(29)23(2,3)21(28)24-18-9-11-19(12-10-18)27-15-13-26(4)14-16-27/h5-12H,13-16H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyVCXRZSHZQRFMGN-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.35
Rot. Bonds5

About 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide

2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide (PubChem CID 108967292) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
PubChem CID108967292
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
SMILESCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-7-5-6-8-20(17)25-22(29)23(2,3)21(28)24-18-9-11-19(12-10-18)27-15-13-26(4)14-16-27/h5-12H,13-16H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyVCXRZSHZQRFMGN-UHFFFAOYSA-N
XLogP3.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.35
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527589
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323
2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113198136
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969928
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008238
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
2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113209051

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide (CID 108967292) is 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide is Cc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide?
The InChIKey is VCXRZSHZQRFMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-7-5-6-8-20(17)25-22(29)23(2,3)21(28)24-18-9-11-19(12-10-18)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 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide?
2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide has a molecular weight of 394.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide is sourced from PubChem (CID 108967292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).