[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone

C26H28N4O6 — CID 3866501

About [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone

[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone (PubChem CID 3866501) has the molecular formula C26H28N4O6 and a molecular weight of 492.53 g/mol. Its IUPAC name is [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone.

Molecular Properties

• Compound Name: [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
• PubChem CID: 3866501
• Molecular Formula: C26H28N4O6
• Molecular Weight: 492.53 g/mol
• Exact Mass: 492.20
• IUPAC Name: [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone
• SMILES: C=CCOc1nc(OCC=C)nc(OCC2CN(C(=O)c3cc(-c4ccccc4)oc3C)CCO2)n1
• InChI: InChI=1S/C26H28N4O6/c1-4-12-33-24-27-25(34-13-5-2)29-26(28-24)35-17-20-16-30(11-14-32-20)23(31)21-15-22(36-18(21)3)19-9-7-6-8-10-19/h4-10,15,20H,1-2,11-14,16-17H2,3H3
• InChIKey: ILDLQOWPCPCIBO-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 109.04 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.53
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone?

The IUPAC name of [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone (CID 3866501) is [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone.

What is the SMILES notation for [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone?

The canonical SMILES for [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone is C=CCOc1nc(OCC=C)nc(OCC2CN(C(=O)c3cc(-c4ccccc4)oc3C)CCO2)n1.

What is the InChIKey of [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone?

The InChIKey is ILDLQOWPCPCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O6/c1-4-12-33-24-27-25(34-13-5-2)29-26(28-24)35-17-20-16-30(11-14-32-20)23(31)21-15-22(36-18(21)3)19-9-7-6-8-10-19/h4-10,15,20H,1-2,11-14,16-17H2,3H3.

What are the key properties of [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone?

[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone has a molecular weight of 492.53 g/mol, XLogP of 3.49, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methyl-5-phenylfuran-3-yl)methanone is sourced from PubChem (CID 3866501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).