[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+))

C29H42N4O6Rb2 — CID 58705381

About [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+))

[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+)) (PubChem CID 58705381) has the molecular formula C29H42N4O6Rb2 and a molecular weight of 713.61 g/mol. Its IUPAC name is [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+)).

Molecular Properties

• Compound Name: [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+))
• PubChem CID: 58705381
• Molecular Formula: C29H42N4O6Rb2
• Molecular Weight: 713.61 g/mol
• Exact Mass: 712.13
• IUPAC Name: [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+))
• SMILES: CCCC(CCCCNC(=O)[N-]CCCOCC(=O)[N-]Cc1ccc(CC(=O)N2CCC2=O)cc1)C(=O)CC.[Rb+].[Rb+]
• InChI: InChI=1S/C29H44N4O6.2Rb/c1-3-8-24(25(34)4-2)9-5-6-15-30-29(38)31-16-7-18-39-21-26(35)32-20-23-12-10-22(11-13-23)19-28(37)33-17-14-27(33)36;;/h10-13,24H,3-9,14-21H2,1-2H3,(H3,30,31,32,35,38);;/q;2*+1/p-2
• InChIKey: MTOZHWZUYKFTLL-UHFFFAOYSA-L
• XLogP: -1.55
• TPSA: 138.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	713.61
LogP ≤ 5	-1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+))?

The IUPAC name of [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+)) (CID 58705381) is [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+)).

What is the SMILES notation for [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+))?

The canonical SMILES for [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+)) is CCCC(CCCCNC(=O)[N-]CCCOCC(=O)[N-]Cc1ccc(CC(=O)N2CCC2=O)cc1)C(=O)CC.[Rb+].[Rb+].

What is the InChIKey of [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+))?

The InChIKey is MTOZHWZUYKFTLL-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H44N4O6.2Rb/c1-3-8-24(25(34)4-2)9-5-6-15-30-29(38)31-16-7-18-39-21-26(35)32-20-23-12-10-22(11-13-23)19-28(37)33-17-14-27(33)36;;/h10-13,24H,3-9,14-21H2,1-2H3,(H3,30,31,32,35,38);;/q;2*+1/p-2.

What are the key properties of [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+))?

[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+)) has a molecular weight of 713.61 g/mol, XLogP of -1.55, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+)) is sourced from PubChem (CID 58705381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).