9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione

C55H66N2O12 — CID 10724559

About 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione

9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione (PubChem CID 10724559) has the molecular formula C55H66N2O12 and a molecular weight of 947.13 g/mol. Its IUPAC name is 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione.

Molecular Properties

• Compound Name: 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione
• PubChem CID: 10724559
• Molecular Formula: C55H66N2O12
• Molecular Weight: 947.13 g/mol
• Exact Mass: 946.46
• IUPAC Name: 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione
• SMILES: CCOCCOc1c2cccc1Cc1cc3cc(c1OCCOCC)Cc1cccc(c1OCCOCC)Cc1cc(cc(c1OCCOCC)C2)COC(=O)c1cc(N(C)C)cc(n1)C(=O)OC3
• InChI: InChI=1S/C55H66N2O12/c1-7-60-17-21-64-50-39-13-11-14-40(50)30-44-26-38-28-46(53(44)67-24-20-63-10-4)32-42-16-12-15-41(51(42)65-22-18-61-8-2)31-45-27-37(25-43(29-39)52(45)66-23-19-62-9-3)35-68-54(58)48-33-47(57(5)6)34-49(56-48)55(59)69-36-38/h11-16,25-28,33-34H,7-10,17-24,29-32,35-36H2,1-6H3
• InChIKey: IJQHPZYVGNTSOU-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 142.57 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	947.13
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione?

The IUPAC name of 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione (CID 10724559) is 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione.

What is the SMILES notation for 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione?

The canonical SMILES for 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione is CCOCCOc1c2cccc1Cc1cc3cc(c1OCCOCC)Cc1cccc(c1OCCOCC)Cc1cc(cc(c1OCCOCC)C2)COC(=O)c1cc(N(C)C)cc(n1)C(=O)OC3.

What is the InChIKey of 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione?

The InChIKey is IJQHPZYVGNTSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H66N2O12/c1-7-60-17-21-64-50-39-13-11-14-40(50)30-44-26-38-28-46(53(44)67-24-20-63-10-4)32-42-16-12-15-41(51(42)65-22-18-61-8-2)31-45-27-37(25-43(29-39)52(45)66-23-19-62-9-3)35-68-54(58)48-33-47(57(5)6)34-49(56-48)55(59)69-36-38/h11-16,25-28,33-34H,7-10,17-24,29-32,35-36H2,1-6H3.

What are the key properties of 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione?

9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione has a molecular weight of 947.13 g/mol, XLogP of 8.51, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(dimethylamino)-18,28,36,38-tetrakis(2-ethoxyethoxy)-5,13-dioxa-40-azaheptacyclo[15.11.7.13,27.17,11.115,19.121,25.130,34]tetraconta-1,3(37),7(40),8,10,15(39),16,18,21,23,25(38),27,30(36),31,33-pentadecaene-6,12-dione is sourced from PubChem (CID 10724559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).