N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide

C27H25N3O5 — CID 25316249

About N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 25316249) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 25316249
• Molecular Formula: C27H25N3O5
• Molecular Weight: 471.51 g/mol
• Exact Mass: 471.18
• IUPAC Name: N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1ccco1
• InChI: InChI=1S/C27H25N3O5/c31-24(18-29-26(32)23-14-8-16-35-23)30(19-20-9-3-1-4-10-20)25(21-11-5-2-6-12-21)27(33)28-17-22-13-7-15-34-22/h1-16,25H,17-19H2,(H,28,33)(H,29,32)/t25-/m1/s1
• InChIKey: XMOUXZDGPQZYJR-RUZDIDTESA-N
• XLogP: 3.69
• TPSA: 104.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.51
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-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 25316249) is N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide.

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

The canonical SMILES for N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1ccco1.

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

The InChIKey is XMOUXZDGPQZYJR-RUZDIDTESA-N. The full InChI is InChI=1S/C27H25N3O5/c31-24(18-29-26(32)23-14-8-16-35-23)30(19-20-9-3-1-4-10-20)25(21-11-5-2-6-12-21)27(33)28-17-22-13-7-15-34-22/h1-16,25H,17-19H2,(H,28,33)(H,29,32)/t25-/m1/s1.

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

N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 25316249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).