N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C24H38N8O4 — CID 23787320

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 23787320) has the molecular formula C24H38N8O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• PubChem CID: 23787320
• Molecular Formula: C24H38N8O4
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.30
• IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• SMILES: NCCOCCOCCNC(=O)Cc1ccc(Nc2nc(NCCCO)nc(NC3CCC3)n2)cc1
• InChI: InChI=1S/C24H38N8O4/c25-9-13-35-15-16-36-14-11-26-21(34)17-18-5-7-20(8-6-18)29-24-31-22(27-10-2-12-33)30-23(32-24)28-19-3-1-4-19/h5-8,19,33H,1-4,9-17,25H2,(H,26,34)(H3,27,28,29,30,31,32)
• InChIKey: LBRHWICEZXXKPH-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 168.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

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-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 23787320) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is NCCOCCOCCNC(=O)Cc1ccc(Nc2nc(NCCCO)nc(NC3CCC3)n2)cc1.

What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The InChIKey is LBRHWICEZXXKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N8O4/c25-9-13-35-15-16-36-14-11-26-21(34)17-18-5-7-20(8-6-18)29-24-31-22(27-10-2-12-33)30-23(32-24)28-19-3-1-4-19/h5-8,19,33H,1-4,9-17,25H2,(H,26,34)(H3,27,28,29,30,31,32).

What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 502.62 g/mol, XLogP of 1.02, 18 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclobutylamino)-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 23787320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).