N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide

C26H33N7O4 — CID 23816371

About N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide

N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 23816371) has the molecular formula C26H33N7O4 and a molecular weight of 507.60 g/mol. Its IUPAC name is N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide
• PubChem CID: 23816371
• Molecular Formula: C26H33N7O4
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.26
• IUPAC Name: N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide
• SMILES: O=C(NCCOCCOCCNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)c1ccccc1
• InChI: InChI=1S/C26H33N7O4/c34-23(21-7-3-1-4-8-21)27-11-15-35-19-20-36-16-12-28-24-30-25(29-22-9-5-2-6-10-22)32-26(31-24)33-13-17-37-18-14-33/h1-10H,11-20H2,(H,27,34)(H2,28,29,30,31,32)
• InChIKey: RUKHGBQDENZQPQ-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 122.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide?

The IUPAC name of N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide (CID 23816371) is N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide.

What is the SMILES notation for N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide?

The canonical SMILES for N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide is O=C(NCCOCCOCCNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)c1ccccc1.

What is the InChIKey of N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide?

The InChIKey is RUKHGBQDENZQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O4/c34-23(21-7-3-1-4-8-21)27-11-15-35-19-20-36-16-12-28-24-30-25(29-22-9-5-2-6-10-22)32-26(31-24)33-13-17-37-18-14-33/h1-10H,11-20H2,(H,27,34)(H2,28,29,30,31,32).

What are the key properties of N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide?

N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 507.60 g/mol, XLogP of 2.33, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 23816371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).