3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

C32H41N3O — CID 10174229

About 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (PubChem CID 10174229) has the molecular formula C32H41N3O and a molecular weight of 483.70 g/mol. Its IUPAC name is 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
• PubChem CID: 10174229
• Molecular Formula: C32H41N3O
• Molecular Weight: 483.70 g/mol
• Exact Mass: 483.32
• IUPAC Name: 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
• SMILES: CC(C)c1ccc(-c2c(C(=O)Nc3ccc(N4CCN(C(C)C)CC4)cc3)cccc2C(C)C)cc1
• InChI: InChI=1S/C32H41N3O/c1-22(2)25-10-12-26(13-11-25)31-29(23(3)4)8-7-9-30(31)32(36)33-27-14-16-28(17-15-27)35-20-18-34(19-21-35)24(5)6/h7-17,22-24H,18-21H2,1-6H3,(H,33,36)
• InChIKey: UWXFGDKHPWROCV-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.70
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?

The IUPAC name of 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (CID 10174229) is 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.

What is the SMILES notation for 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?

The canonical SMILES for 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is CC(C)c1ccc(-c2c(C(=O)Nc3ccc(N4CCN(C(C)C)CC4)cc3)cccc2C(C)C)cc1.

What is the InChIKey of 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?

The InChIKey is UWXFGDKHPWROCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O/c1-22(2)25-10-12-26(13-11-25)31-29(23(3)4)8-7-9-30(31)32(36)33-27-14-16-28(17-15-27)35-20-18-34(19-21-35)24(5)6/h7-17,22-24H,18-21H2,1-6H3,(H,33,36).

What are the key properties of 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?

3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 483.70 g/mol, XLogP of 7.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 10174229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).