3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane

C26H38N6O8 — CID 178062521

About 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane

3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane (PubChem CID 178062521) has the molecular formula C26H38N6O8 and a molecular weight of 562.62 g/mol. Its IUPAC name is 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane
• PubChem CID: 178062521
• Molecular Formula: C26H38N6O8
• Molecular Weight: 562.62 g/mol
• Exact Mass: 562.28
• IUPAC Name: 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane
• SMILES: CC.Cc1nnc(-c2cc(NC(=O)CCOCCOCCOCCOCCC(N)=O)cc(-c3nnc(C)o3)c2)o1
• InChI: InChI=1S/C24H32N6O8.C2H6/c1-16-27-29-23(37-16)18-13-19(24-30-28-17(2)38-24)15-20(14-18)26-22(32)4-6-34-8-10-36-12-11-35-9-7-33-5-3-21(25)31;1-2/h13-15H,3-12H2,1-2H3,(H2,25,31)(H,26,32);1-2H3
• InChIKey: BPSNWSXNZFONAE-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 186.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.62
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane?

The IUPAC name of 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane (CID 178062521) is 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane.

What is the SMILES notation for 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane?

The canonical SMILES for 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane is CC.Cc1nnc(-c2cc(NC(=O)CCOCCOCCOCCOCCC(N)=O)cc(-c3nnc(C)o3)c2)o1.

What is the InChIKey of 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane?

The InChIKey is BPSNWSXNZFONAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O8.C2H6/c1-16-27-29-23(37-16)18-13-19(24-30-28-17(2)38-24)15-20(14-18)26-22(32)4-6-34-8-10-36-12-11-35-9-7-33-5-3-21(25)31;1-2/h13-15H,3-12H2,1-2H3,(H2,25,31)(H,26,32);1-2H3.

What are the key properties of 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane?

3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane has a molecular weight of 562.62 g/mol, XLogP of 2.70, 18 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[3-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanamide;ethane is sourced from PubChem (CID 178062521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).