6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone

C56H84N4O8 — CID 22952812

About 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone

6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone (PubChem CID 22952812) has the molecular formula C56H84N4O8 and a molecular weight of 941.31 g/mol. Its IUPAC name is 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone.

Molecular Properties

• Compound Name: 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone
• PubChem CID: 22952812
• Molecular Formula: C56H84N4O8
• Molecular Weight: 941.31 g/mol
• Exact Mass: 940.63
• IUPAC Name: 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone
• SMILES: C=C1C(C)OC(=O)C(CC(C)C)N(C)C(=C)C(Cc2ccccc2)OC(=O)C(CC(C)C)N(C)C(=C)C(C)OC(=O)C(CC(C)C)N(C)C(=C)C(Cc2ccccc2)OC(=O)C(CC(C)C)N1C
• InChI: InChI=1S/C56H84N4O8/c1-35(2)29-47-53(61)65-43(13)39(9)57(15)50(32-38(7)8)56(64)68-52(34-46-27-23-20-24-28-46)42(12)60(18)48(30-36(3)4)54(62)66-44(14)40(10)58(16)49(31-37(5)6)55(63)67-51(41(11)59(47)17)33-45-25-21-19-22-26-45/h19-28,35-38,43-44,47-52H,9-12,29-34H2,1-8,13-18H3
• InChIKey: VKVZYEPWFCZDAG-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 118.16 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.31
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone?

The IUPAC name of 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone (CID 22952812) is 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone.

What is the SMILES notation for 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone?

The canonical SMILES for 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone is C=C1C(C)OC(=O)C(CC(C)C)N(C)C(=C)C(Cc2ccccc2)OC(=O)C(CC(C)C)N(C)C(=C)C(C)OC(=O)C(CC(C)C)N(C)C(=C)C(Cc2ccccc2)OC(=O)C(CC(C)C)N1C.

What is the InChIKey of 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone?

The InChIKey is VKVZYEPWFCZDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H84N4O8/c1-35(2)29-47-53(61)65-43(13)39(9)57(15)50(32-38(7)8)56(64)68-52(34-46-27-23-20-24-28-46)42(12)60(18)48(30-36(3)4)54(62)66-44(14)40(10)58(16)49(31-37(5)6)55(63)67-51(41(11)59(47)17)33-45-25-21-19-22-26-45/h19-28,35-38,43-44,47-52H,9-12,29-34H2,1-8,13-18H3.

What are the key properties of 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone?

6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone has a molecular weight of 941.31 g/mol, XLogP of 9.61, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone is sourced from PubChem (CID 22952812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).