N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide

C26H23N3O5 — CID 3215519

About N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3215519) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3215519
• Molecular Formula: C26H23N3O5
• Molecular Weight: 457.49 g/mol
• Exact Mass: 457.16
• IUPAC Name: N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(c1ccccc1)C(C(=O)NCc1ccco1)c1ccccc1)c1ccco1
• InChI: InChI=1S/C26H23N3O5/c30-23(18-28-25(31)22-14-8-16-34-22)29(20-11-5-2-6-12-20)24(19-9-3-1-4-10-19)26(32)27-17-21-13-7-15-33-21/h1-16,24H,17-18H2,(H,27,32)(H,28,31)
• InChIKey: ALCSTCGPFDBYFO-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 104.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.49
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide (CID 3215519) is N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1ccccc1)C(C(=O)NCc1ccco1)c1ccccc1)c1ccco1.

What is the InChIKey of N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is ALCSTCGPFDBYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c30-23(18-28-25(31)22-14-8-16-34-22)29(20-11-5-2-6-12-20)24(19-9-3-1-4-10-19)26(32)27-17-21-13-7-15-33-21/h1-16,24H,17-18H2,(H,27,32)(H,28,31).

What are the key properties of N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3215519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).