20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one

C40H61N9O4Si — CID 140768443

About 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one

20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one (PubChem CID 140768443) has the molecular formula C40H61N9O4Si and a molecular weight of 760.07 g/mol. Its IUPAC name is 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one.

Molecular Properties

• Compound Name: 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one
• PubChem CID: 140768443
• Molecular Formula: C40H61N9O4Si
• Molecular Weight: 760.07 g/mol
• Exact Mass: 759.46
• IUPAC Name: 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one
• SMILES: CN1CCCN(C)c2ccc(cn2)-c2ccnc(n2)N(COCC[Si](C)(C)C)c2cccc(c2)CN2CCN(CC1=O)CC2COCCN1CCOCC1
• InChI: InChI=1S/C40H61N9O4Si/c1-44-14-7-15-45(2)39(50)30-47-16-17-48(36(29-47)31-52-23-20-46-18-21-51-22-19-46)28-33-8-6-9-35(26-33)49(32-53-24-25-54(3,4)5)40-41-13-12-37(43-40)34-10-11-38(44)42-27-34/h6,8-13,26-27,36H,7,14-25,28-32H2,1-5H3
• InChIKey: ARVLBORWKHJEIO-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 102.87 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.07
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one?

The IUPAC name of 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one (CID 140768443) is 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one.

What is the SMILES notation for 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one?

The canonical SMILES for 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one is CN1CCCN(C)c2ccc(cn2)-c2ccnc(n2)N(COCC[Si](C)(C)C)c2cccc(c2)CN2CCN(CC1=O)CC2COCCN1CCOCC1.

What is the InChIKey of 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one?

The InChIKey is ARVLBORWKHJEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H61N9O4Si/c1-44-14-7-15-45(2)39(50)30-47-16-17-48(36(29-47)31-52-23-20-46-18-21-51-22-19-46)28-33-8-6-9-35(26-33)49(32-53-24-25-54(3,4)5)40-41-13-12-37(43-40)34-10-11-38(44)42-27-34/h6,8-13,26-27,36H,7,14-25,28-32H2,1-5H3.

What are the key properties of 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one?

20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one has a molecular weight of 760.07 g/mol, XLogP of 4.12, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one is sourced from PubChem (CID 140768443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).