N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide

C28H33FN4O4 — CID 3616006

About N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide

N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide (PubChem CID 3616006) has the molecular formula C28H33FN4O4 and a molecular weight of 508.59 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
• PubChem CID: 3616006
• Molecular Formula: C28H33FN4O4
• Molecular Weight: 508.59 g/mol
• Exact Mass: 508.25
• IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
• SMILES: Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)C(=O)Nc2ccccc2)o1
• InChI: InChI=1S/C28H33FN4O4/c1-22-7-12-26(37-22)20-33(19-23-8-10-24(29)11-9-23)27(34)21-32(14-13-31-15-17-36-18-16-31)28(35)30-25-5-3-2-4-6-25/h2-12H,13-21H2,1H3,(H,30,35)
• InChIKey: YLJRMHKEDTWBFU-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 78.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.59
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide (CID 3616006) is N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)C(=O)Nc2ccccc2)o1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide?

The InChIKey is YLJRMHKEDTWBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O4/c1-22-7-12-26(37-22)20-33(19-23-8-10-24(29)11-9-23)27(34)21-32(14-13-31-15-17-36-18-16-31)28(35)30-25-5-3-2-4-6-25/h2-12H,13-21H2,1H3,(H,30,35).

What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide?

N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide has a molecular weight of 508.59 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide is sourced from PubChem (CID 3616006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).