6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide

C28H54N2O9 — CID 176717444

About 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide

6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide (PubChem CID 176717444) has the molecular formula C28H54N2O9 and a molecular weight of 562.75 g/mol. Its IUPAC name is 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide.

Molecular Properties

• Compound Name: 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
• PubChem CID: 176717444
• Molecular Formula: C28H54N2O9
• Molecular Weight: 562.75 g/mol
• Exact Mass: 562.38
• IUPAC Name: 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
• SMILES: CC(C)CCNC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC(=O)C(C)C
• InChI: InChI=1S/C28H54N2O9/c1-24(2)8-10-29-28(33)9-12-34-14-16-36-18-20-38-22-23-39-21-19-37-17-15-35-13-11-30-27(32)7-5-6-26(31)25(3)4/h24-25H,5-23H2,1-4H3,(H,29,33)(H,30,32)
• InChIKey: HLNOXHBJDJLSFT-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 130.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 29
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.75
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide?

The IUPAC name of 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide (CID 176717444) is 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide.

What is the SMILES notation for 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide?

The canonical SMILES for 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide is CC(C)CCNC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC(=O)C(C)C.

What is the InChIKey of 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide?

The InChIKey is HLNOXHBJDJLSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N2O9/c1-24(2)8-10-29-28(33)9-12-34-14-16-36-18-20-38-22-23-39-21-19-37-17-15-35-13-11-30-27(32)7-5-6-26(31)25(3)4/h24-25H,5-23H2,1-4H3,(H,29,33)(H,30,32).

What are the key properties of 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide?

6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide has a molecular weight of 562.75 g/mol, XLogP of 2.15, 29 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide is sourced from PubChem (CID 176717444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).