4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide

C30H32N4O2 — CID 3965951

About 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide

4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide (PubChem CID 3965951) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
• PubChem CID: 3965951
• Molecular Formula: C30H32N4O2
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.25
• IUPAC Name: 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
• SMILES: Cc1ccc(C(=O)NC(C(=O)NN=Cc2cn(Cc3cccc(C)c3)c3ccccc23)C(C)C)cc1
• InChI: InChI=1S/C30H32N4O2/c1-20(2)28(32-29(35)24-14-12-21(3)13-15-24)30(36)33-31-17-25-19-34(27-11-6-5-10-26(25)27)18-23-9-7-8-22(4)16-23/h5-17,19-20,28H,18H2,1-4H3,(H,32,35)(H,33,36)
• InChIKey: UYAQSYIRWNDPHB-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 75.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide?

The IUPAC name of 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide (CID 3965951) is 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide is Cc1ccc(C(=O)NC(C(=O)NN=Cc2cn(Cc3cccc(C)c3)c3ccccc23)C(C)C)cc1.

What is the InChIKey of 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide?

The InChIKey is UYAQSYIRWNDPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-20(2)28(32-29(35)24-14-12-21(3)13-15-24)30(36)33-31-17-25-19-34(27-11-6-5-10-26(25)27)18-23-9-7-8-22(4)16-23/h5-17,19-20,28H,18H2,1-4H3,(H,32,35)(H,33,36).

What are the key properties of 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide?

4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide has a molecular weight of 480.61 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-methyl-1-[2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 3965951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).