4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

C28H34N2O3 — CID 3939552

About 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (PubChem CID 3939552) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
• PubChem CID: 3939552
• Molecular Formula: C28H34N2O3
• Molecular Weight: 446.59 g/mol
• Exact Mass: 446.26
• IUPAC Name: 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
• SMILES: Cc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)CC(C)C)cc1
• InChI: InChI=1S/C28H34N2O3/c1-21(2)18-30(28(32)25-13-10-22(3)11-14-25)20-27(31)29(19-26-15-12-23(4)33-26)17-16-24-8-6-5-7-9-24/h5-15,21H,16-20H2,1-4H3
• InChIKey: JUCZZKFGJZSHDI-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 53.76 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.59
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?

The IUPAC name of 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (CID 3939552) is 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.

What is the SMILES notation for 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?

The canonical SMILES for 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)CC(C)C)cc1.

What is the InChIKey of 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?

The InChIKey is JUCZZKFGJZSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-21(2)18-30(28(32)25-13-10-22(3)11-14-25)20-27(31)29(19-26-15-12-23(4)33-26)17-16-24-8-6-5-7-9-24/h5-15,21H,16-20H2,1-4H3.

What are the key properties of 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?

4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 446.59 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 3939552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).