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

C28H34N2O3 — CID 3367998

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

N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 3367998) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
• PubChem CID: 3367998
• Molecular Formula: C28H34N2O3
• Molecular Weight: 446.59 g/mol
• Exact Mass: 446.26
• IUPAC Name: N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
• SMILES: CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1
• InChI: InChI=1S/C28H34N2O3/c1-4-5-18-30(28(32)25-14-11-22(2)12-15-25)21-27(31)29(20-26-16-13-23(3)33-26)19-17-24-9-7-6-8-10-24/h6-16H,4-5,17-21H2,1-3H3
• InChIKey: ICZQZUUOANVNLU-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 53.76 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.59
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide (CID 3367998) is N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide.

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

The canonical SMILES for N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide is CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1.

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

The InChIKey is ICZQZUUOANVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-4-5-18-30(28(32)25-14-11-22(2)12-15-25)21-27(31)29(20-26-16-13-23(3)33-26)19-17-24-9-7-6-8-10-24/h6-16H,4-5,17-21H2,1-3H3.

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

N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 446.59 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3367998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).