2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C28H32FN3O4 — CID 3346955

About 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 3346955) has the molecular formula C28H32FN3O4 and a molecular weight of 493.58 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
• PubChem CID: 3346955
• Molecular Formula: C28H32FN3O4
• Molecular Weight: 493.58 g/mol
• Exact Mass: 493.24
• IUPAC Name: 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
• SMILES: Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)Nc2cccc(F)c2)o1
• InChI: InChI=1S/C28H32FN3O4/c1-21-12-13-26(36-21)19-31(15-14-22-7-3-2-4-8-22)27(33)20-32(18-25-11-6-16-35-25)28(34)30-24-10-5-9-23(29)17-24/h2-5,7-10,12-13,17,25H,6,11,14-16,18-20H2,1H3,(H,30,34)
• InChIKey: GAEDXCKRAFFYAL-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.58
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 3346955) is 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The canonical SMILES for 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)Nc2cccc(F)c2)o1.

What is the InChIKey of 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The InChIKey is GAEDXCKRAFFYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4/c1-21-12-13-26(36-21)19-31(15-14-22-7-3-2-4-8-22)27(33)20-32(18-25-11-6-16-35-25)28(34)30-24-10-5-9-23(29)17-24/h2-5,7-10,12-13,17,25H,6,11,14-16,18-20H2,1H3,(H,30,34).

What are the key properties of 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 493.58 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3346955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).