[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium

C24H29N3O2+2 — CID 8756529

About [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium

[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium (PubChem CID 8756529) has the molecular formula C24H29N3O2+2 and a molecular weight of 391.52 g/mol. Its IUPAC name is [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium.

Molecular Properties

• Compound Name: [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium
• PubChem CID: 8756529
• Molecular Formula: C24H29N3O2+2
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.22
• IUPAC Name: [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium
• SMILES: O=C(C[NH2+][C@H](c1ccccc1)c1ccco1)Nc1ccc(C[NH+]2CCCC2)cc1
• InChI: InChI=1S/C24H27N3O2/c28-23(26-21-12-10-19(11-13-21)18-27-14-4-5-15-27)17-25-24(22-9-6-16-29-22)20-7-2-1-3-8-20/h1-3,6-13,16,24-25H,4-5,14-15,17-18H2,(H,26,28)/p+2/t24-/m1/s1
• InChIKey: GGKUUZSQQURTKI-XMMPIXPASA-P
• XLogP: 1.75
• TPSA: 63.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium?

The IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium (CID 8756529) is [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium.

What is the SMILES notation for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium?

The canonical SMILES for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium is O=C(C[NH2+][C@H](c1ccccc1)c1ccco1)Nc1ccc(C[NH+]2CCCC2)cc1.

What is the InChIKey of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium?

The InChIKey is GGKUUZSQQURTKI-XMMPIXPASA-P. The full InChI is InChI=1S/C24H27N3O2/c28-23(26-21-12-10-19(11-13-21)18-27-14-4-5-15-27)17-25-24(22-9-6-16-29-22)20-7-2-1-3-8-20/h1-3,6-13,16,24-25H,4-5,14-15,17-18H2,(H,26,28)/p+2/t24-/m1/s1.

What are the key properties of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium?

[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium has a molecular weight of 391.52 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium is sourced from PubChem (CID 8756529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).