N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide

C24H42N6O12 — CID 59245416

About N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide

N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 59245416) has the molecular formula C24H42N6O12 and a molecular weight of 606.63 g/mol. Its IUPAC name is N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

• Compound Name: N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide
• PubChem CID: 59245416
• Molecular Formula: C24H42N6O12
• Molecular Weight: 606.63 g/mol
• Exact Mass: 606.29
• IUPAC Name: N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide
• SMILES: COCCOCC(=O)NCCn1c(=O)n(CCNC(=O)COCCOC)c(=O)n(CCNC(=O)COCCOC)c1=O
• InChI: InChI=1S/C24H42N6O12/c1-37-10-13-40-16-19(31)25-4-7-28-22(34)29(8-5-26-20(32)17-41-14-11-38-2)24(36)30(23(28)35)9-6-27-21(33)18-42-15-12-39-3/h4-18H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)
• InChIKey: WIWFHJOSKNPVMZ-UHFFFAOYSA-N
• XLogP: -4.49
• TPSA: 208.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.63
LogP ≤ 5	-4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide?

The IUPAC name of N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide (CID 59245416) is N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide.

What is the SMILES notation for N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide?

The canonical SMILES for N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCCn1c(=O)n(CCNC(=O)COCCOC)c(=O)n(CCNC(=O)COCCOC)c1=O.

What is the InChIKey of N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide?

The InChIKey is WIWFHJOSKNPVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O12/c1-37-10-13-40-16-19(31)25-4-7-28-22(34)29(8-5-26-20(32)17-41-14-11-38-2)24(36)30(23(28)35)9-6-27-21(33)18-42-15-12-39-3/h4-18H2,1-3H3,(H,25,31)(H,26,32)(H,27,33).

What are the key properties of N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide?

N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 606.63 g/mol, XLogP of -4.49, 24 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 59245416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).