N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide

C26H26N2O5 — CID 3953294

About N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3953294) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3953294
• Molecular Formula: C26H26N2O5
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.18
• IUPAC Name: N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2ccco2)C(=O)c2ccco2)o1
• InChI: InChI=1S/C26H26N2O5/c1-20-11-12-23(33-20)18-27(14-13-21-7-3-2-4-8-21)25(29)19-28(17-22-9-5-15-31-22)26(30)24-10-6-16-32-24/h2-12,15-16H,13-14,17-19H2,1H3
• InChIKey: PLEBSJMHFAXURS-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 80.04 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 3953294) is N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2ccco2)C(=O)c2ccco2)o1.

What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is PLEBSJMHFAXURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-20-11-12-23(33-20)18-27(14-13-21-7-3-2-4-8-21)25(29)19-28(17-22-9-5-15-31-22)26(30)24-10-6-16-32-24/h2-12,15-16H,13-14,17-19H2,1H3.

What are the key properties of N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3953294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).