N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide

C32H56N4O9 — CID 66790389

About N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide

N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide (PubChem CID 66790389) has the molecular formula C32H56N4O9 and a molecular weight of 640.82 g/mol. Its IUPAC name is N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide.

Molecular Properties

• Compound Name: N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide
• PubChem CID: 66790389
• Molecular Formula: C32H56N4O9
• Molecular Weight: 640.82 g/mol
• Exact Mass: 640.40
• IUPAC Name: N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide
• SMILES: CCCC(=O)NCCOC(OCCNC(=O)CCN1CCN(C)CC1)c1cccc(OCCOCCOCCOCCOC)c1
• InChI: InChI=1S/C32H56N4O9/c1-4-6-30(37)33-10-17-44-32(45-18-11-34-31(38)9-12-36-15-13-35(2)14-16-36)28-7-5-8-29(27-28)43-26-25-42-24-23-41-22-21-40-20-19-39-3/h5,7-8,27,32H,4,6,9-26H2,1-3H3,(H,33,37)(H,34,38)
• InChIKey: RUUNGOZBVAECNX-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 129.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.82
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide?

The IUPAC name of N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide (CID 66790389) is N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide.

What is the SMILES notation for N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide?

The canonical SMILES for N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide is CCCC(=O)NCCOC(OCCNC(=O)CCN1CCN(C)CC1)c1cccc(OCCOCCOCCOCCOC)c1.

What is the InChIKey of N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide?

The InChIKey is RUUNGOZBVAECNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N4O9/c1-4-6-30(37)33-10-17-44-32(45-18-11-34-31(38)9-12-36-15-13-35(2)14-16-36)28-7-5-8-29(27-28)43-26-25-42-24-23-41-22-21-40-20-19-39-3/h5,7-8,27,32H,4,6,9-26H2,1-3H3,(H,33,37)(H,34,38).

What are the key properties of N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide?

N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide has a molecular weight of 640.82 g/mol, XLogP of 1.46, 27 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]ethoxy]methoxy]ethyl]butanamide is sourced from PubChem (CID 66790389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).