N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C25H26FN3O4 — CID 4881698

About N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 4881698) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• PubChem CID: 4881698
• Molecular Formula: C25H26FN3O4
• Molecular Weight: 451.50 g/mol
• Exact Mass: 451.19
• IUPAC Name: N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
• SMILES: CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1
• InChI: InChI=1S/C25H26FN3O4/c1-2-29(17-23(30)27-16-19-10-12-20(26)13-11-19)25(32)21(15-18-7-4-3-5-8-18)28-24(31)22-9-6-14-33-22/h3-14,21H,2,15-17H2,1H3,(H,27,30)(H,28,31)
• InChIKey: HYEWZXLPACUOJT-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 91.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.50
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 4881698) is N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1.

What is the InChIKey of N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

The InChIKey is HYEWZXLPACUOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-2-29(17-23(30)27-16-19-10-12-20(26)13-11-19)25(32)21(15-18-7-4-3-5-8-18)28-24(31)22-9-6-14-33-22/h3-14,21H,2,15-17H2,1H3,(H,27,30)(H,28,31).

What are the key properties of N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?

N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4881698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).