4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide

C28H24N2O2 — CID 4208761

About 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide

4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 4208761) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
• PubChem CID: 4208761
• Molecular Formula: C28H24N2O2
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.18
• IUPAC Name: 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
• SMILES: Cc1ccc(C(=O)NC(=Cc2cccc3ccccc23)C(=O)Nc2cccc(C)c2)cc1
• InChI: InChI=1S/C28H24N2O2/c1-19-13-15-22(16-14-19)27(31)30-26(28(32)29-24-11-5-7-20(2)17-24)18-23-10-6-9-21-8-3-4-12-25(21)23/h3-18H,1-2H3,(H,29,32)(H,30,31)
• InChIKey: IUACCGHJJPYJBT-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide?

The IUPAC name of 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide (CID 4208761) is 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide.

What is the SMILES notation for 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide?

The canonical SMILES for 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide is Cc1ccc(C(=O)NC(=Cc2cccc3ccccc23)C(=O)Nc2cccc(C)c2)cc1.

What is the InChIKey of 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide?

The InChIKey is IUACCGHJJPYJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-19-13-15-22(16-14-19)27(31)30-26(28(32)29-24-11-5-7-20(2)17-24)18-23-10-6-9-21-8-3-4-12-25(21)23/h3-18H,1-2H3,(H,29,32)(H,30,31).

What are the key properties of 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide?

4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 4208761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).