N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

C33H52N4O6 — CID 166156488

About N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide (PubChem CID 166156488) has the molecular formula C33H52N4O6 and a molecular weight of 600.80 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
• PubChem CID: 166156488
• Molecular Formula: C33H52N4O6
• Molecular Weight: 600.80 g/mol
• Exact Mass: 600.39
• IUPAC Name: N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
• SMILES: CCCCC(=O)NCCOCCOCCOCCOCCC(=O)N1CCN(Cc2ccc3nc(C(C)C)ccc3c2)CC1
• InChI: InChI=1S/C33H52N4O6/c1-4-5-6-32(38)34-12-18-41-20-22-43-24-23-42-21-19-40-17-11-33(39)37-15-13-36(14-16-37)26-28-7-9-31-29(25-28)8-10-30(35-31)27(2)3/h7-10,25,27H,4-6,11-24,26H2,1-3H3,(H,34,38)
• InChIKey: GDAVAYBGKVSPHX-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 102.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.80
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide?

The IUPAC name of N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide (CID 166156488) is N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide.

What is the SMILES notation for N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide?

The canonical SMILES for N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide is CCCCC(=O)NCCOCCOCCOCCOCCC(=O)N1CCN(Cc2ccc3nc(C(C)C)ccc3c2)CC1.

What is the InChIKey of N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide?

The InChIKey is GDAVAYBGKVSPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N4O6/c1-4-5-6-32(38)34-12-18-41-20-22-43-24-23-42-21-19-40-17-11-33(39)37-15-13-36(14-16-37)26-28-7-9-31-29(25-28)8-10-30(35-31)27(2)3/h7-10,25,27H,4-6,11-24,26H2,1-3H3,(H,34,38).

What are the key properties of N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide?

N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide has a molecular weight of 600.80 g/mol, XLogP of 3.77, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[3-oxo-3-[4-[(2-propan-2-ylquinolin-6-yl)methyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide is sourced from PubChem (CID 166156488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).