2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C29H29N3O3 — CID 46128921

About 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 46128921) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
• PubChem CID: 46128921
• Molecular Formula: C29H29N3O3
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.22
• IUPAC Name: 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
• SMILES: Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2ccc(C#N)cc2)Cc2ccco2)o1
• InChI: InChI=1S/C29H29N3O3/c1-23-9-14-28(35-23)21-32(16-15-24-6-3-2-4-7-24)29(33)22-31(20-27-8-5-17-34-27)19-26-12-10-25(18-30)11-13-26/h2-14,17H,15-16,19-22H2,1H3
• InChIKey: NSZSAYGJBXKYRA-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 73.62 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 46128921) is 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The canonical SMILES for 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2ccc(C#N)cc2)Cc2ccco2)o1.

What is the InChIKey of 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The InChIKey is NSZSAYGJBXKYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-23-9-14-28(35-23)21-32(16-15-24-6-3-2-4-7-24)29(33)22-31(20-27-8-5-17-34-27)19-26-12-10-25(18-30)11-13-26/h2-14,17H,15-16,19-22H2,1H3.

What are the key properties of 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 467.57 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 46128921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).