ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C25H53N3O9 — CID 145320250

About ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 145320250) has the molecular formula C25H53N3O9 and a molecular weight of 539.71 g/mol. Its IUPAC name is ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 145320250
• Molecular Formula: C25H53N3O9
• Molecular Weight: 539.71 g/mol
• Exact Mass: 539.38
• IUPAC Name: ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• SMILES: CC.CNCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(C)C
• InChI: InChI=1S/C23H47N3O9.C2H6/c1-21(2)23(28)26-5-7-30-9-11-32-13-15-34-17-19-35-18-16-33-14-12-31-10-8-29-6-4-25-22(27)20-24-3;1-2/h21,24H,4-20H2,1-3H3,(H,25,27)(H,26,28);1-2H3
• InChIKey: ILVBRGQGPPSUDQ-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 134.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.71
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 145320250) is ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CC.CNCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(C)C.

What is the InChIKey of ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The InChIKey is ILVBRGQGPPSUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O9.C2H6/c1-21(2)23(28)26-5-7-30-9-11-32-13-15-34-17-19-35-18-16-33-14-12-31-10-8-29-6-4-25-22(27)20-24-3;1-2/h21,24H,4-20H2,1-3H3,(H,25,27)(H,26,28);1-2H3.

What are the key properties of ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 539.71 g/mol, XLogP of 0.24, 27 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 145320250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).