N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide

C₂₆H₃₆N₄O₂ — CID 30653763

About N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide

N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide (PubChem CID 30653763) has the molecular formula C₂₆H₃₆N₄O₂ and a molecular weight of 436.60 g/mol. Its IUPAC name is N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
• PubChem CID: 30653763
• Molecular Formula: C₂₆H₃₆N₄O₂
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.28
• IUPAC Name: N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
• SMILES: CCCCNC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1
• InChI: InChI=1S/C26H36N4O2/c1-3-4-14-27-25(31)19-29-15-17-30(18-16-29)20-26(32)28-21(2)22-10-12-24(13-11-22)23-8-6-5-7-9-23/h5-13,21H,3-4,14-20H2,1-2H3,(H,27,31)(H,28,32)/t21-/m1/s1
• InChIKey: LYRUKCIKWJINQO-OAQYLSRUSA-N
• XLogP: 3.06
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide (CID 30653763) is N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1.

What is the InChIKey of N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?

The InChIKey is LYRUKCIKWJINQO-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-3-4-14-27-25(31)19-29-15-17-30(18-16-29)20-26(32)28-21(2)22-10-12-24(13-11-22)23-8-6-5-7-9-23/h5-13,21H,3-4,14-20H2,1-2H3,(H,27,31)(H,28,32)/t21-/m1/s1.

What are the key properties of N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?

N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 436.60 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30653763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 30653763 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.