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

C32H55N5O8 — CID 177191710

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

N-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide;ethane (PubChem CID 177191710) has the molecular formula C32H55N5O8 and a molecular weight of 637.82 g/mol. Its IUPAC name is N-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide;ethane.

Molecular Properties

• Compound Name: N-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide;ethane
• PubChem CID: 177191710
• Molecular Formula: C32H55N5O8
• Molecular Weight: 637.82 g/mol
• Exact Mass: 637.41
• IUPAC Name: N-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide;ethane
• SMILES: CC.CC.CC.CC.Cc1nnc(-c2cc(NC(=O)CCOCCOCCOCCOCCC=O)cc(-c3nnc(C)o3)c2)o1
• InChI: InChI=1S/C24H31N5O8.4C2H6/c1-17-26-28-23(36-17)19-14-20(24-29-27-18(2)37-24)16-21(15-19)25-22(31)4-7-33-9-11-35-13-12-34-10-8-32-6-3-5-30;4*1-2/h5,14-16H,3-4,6-13H2,1-2H3,(H,25,31);4*1-2H3
• InChIKey: OWHIJEGTIZISFD-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 160.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	637.82
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide;ethane (CID 177191710) is N-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide;ethane.

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

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

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

The InChIKey is OWHIJEGTIZISFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O8.4C2H6/c1-17-26-28-23(36-17)19-14-20(24-29-27-18(2)37-24)16-21(15-19)25-22(31)4-7-33-9-11-35-13-12-34-10-8-32-6-3-5-30;4*1-2/h5,14-16H,3-4,6-13H2,1-2H3,(H,25,31);4*1-2H3.

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

N-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide;ethane has a molecular weight of 637.82 g/mol, XLogP of 6.49, 18 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide;ethane is sourced from PubChem (CID 177191710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).