(2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium

C29H42N4O5+2 — CID 4922026

About (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium

(2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium (PubChem CID 4922026) has the molecular formula C29H42N4O5+2 and a molecular weight of 526.68 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium.

Molecular Properties

• Compound Name: (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium
• PubChem CID: 4922026
• Molecular Formula: C29H42N4O5+2
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.31
• IUPAC Name: (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium
• SMILES: CC[N+](CC)(CCOc1ccc2c(c1)C(=O)c1cc(OCC[N+](CC)(CC)CC(N)=O)ccc1-2)CC(N)=O
• InChI: InChI=1S/C29H40N4O5/c1-5-32(6-2,19-27(30)34)13-15-37-21-9-11-23-24-12-10-22(18-26(24)29(36)25(23)17-21)38-16-14-33(7-3,8-4)20-28(31)35/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3,(H2-2,30,31,34,35)/p+2
• InChIKey: UJYXNBOFPRGCQG-UHFFFAOYSA-P
• XLogP: 2.34
• TPSA: 121.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium?

The IUPAC name of (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium (CID 4922026) is (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium.

What is the SMILES notation for (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium?

The canonical SMILES for (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium is CC[N+](CC)(CCOc1ccc2c(c1)C(=O)c1cc(OCC[N+](CC)(CC)CC(N)=O)ccc1-2)CC(N)=O.

What is the InChIKey of (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium?

The InChIKey is UJYXNBOFPRGCQG-UHFFFAOYSA-P. The full InChI is InChI=1S/C29H40N4O5/c1-5-32(6-2,19-27(30)34)13-15-37-21-9-11-23-24-12-10-22(18-26(24)29(36)25(23)17-21)38-16-14-33(7-3,8-4)20-28(31)35/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3,(H2-2,30,31,34,35)/p+2.

What are the key properties of (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium?

(2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium has a molecular weight of 526.68 g/mol, XLogP of 2.34, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium is sourced from PubChem (CID 4922026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).