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

C23H36N8O4 — CID 23984367

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 23984367) has the molecular formula C23H36N8O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• PubChem CID: 23984367
• Molecular Formula: C23H36N8O4
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.29
• IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
• SMILES: C=CCNc1nc(NCCCO)nc(Nc2ccc(CC(=O)NCCOCCOCCN)cc2)n1
• InChI: InChI=1S/C23H36N8O4/c1-2-9-26-21-29-22(27-10-3-12-32)31-23(30-21)28-19-6-4-18(5-7-19)17-20(33)25-11-14-35-16-15-34-13-8-24/h2,4-7,32H,1,3,8-17,24H2,(H,25,33)(H3,26,27,28,29,30,31)
• InChIKey: YEQPZWFEQMODBH-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 168.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 23984367) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(3-hydroxypropylamino)-6-(prop-2-enylamino)-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-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?

The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is C=CCNc1nc(NCCCO)nc(Nc2ccc(CC(=O)NCCOCCOCCN)cc2)n1.

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

The InChIKey is YEQPZWFEQMODBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N8O4/c1-2-9-26-21-29-22(27-10-3-12-32)31-23(30-21)28-19-6-4-18(5-7-19)17-20(33)25-11-14-35-16-15-34-13-8-24/h2,4-7,32H,1,3,8-17,24H2,(H,25,33)(H3,26,27,28,29,30,31).

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 0.66, 19 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-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 23984367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).