8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione

C37H66N2O10 — CID 59940658

About 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione

8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione (PubChem CID 59940658) has the molecular formula C37H66N2O10 and a molecular weight of 698.94 g/mol. Its IUPAC name is 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione.

Molecular Properties

• Compound Name: 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione
• PubChem CID: 59940658
• Molecular Formula: C37H66N2O10
• Molecular Weight: 698.94 g/mol
• Exact Mass: 698.47
• IUPAC Name: 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione
• SMILES: CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC)C(C)(OC)CC(C)C(=O)C(C)C2N(CC(C)(C)C)C(=O)OC12C
• InChI: InChI=1S/C37H66N2O10/c1-16-26-37(11)30(39(34(43)49-37)19-35(7,8)9)22(4)27(40)20(2)18-36(10,45-15)31(23(5)28(41)24(6)32(42)47-26)48-33-29(44-14)25(38(12)13)17-21(3)46-33/h20-26,28-31,33,41H,16-19H2,1-15H3
• InChIKey: LYVCQKKWLOIBGV-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 133.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.94
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione?

The IUPAC name of 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione (CID 59940658) is 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione.

What is the SMILES notation for 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione?

The canonical SMILES for 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione is CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OC)C(C)(OC)CC(C)C(=O)C(C)C2N(CC(C)(C)C)C(=O)OC12C.

What is the InChIKey of 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione?

The InChIKey is LYVCQKKWLOIBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H66N2O10/c1-16-26-37(11)30(39(34(43)49-37)19-35(7,8)9)22(4)27(40)20(2)18-36(10,45-15)31(23(5)28(41)24(6)32(42)47-26)48-33-29(44-14)25(38(12)13)17-21(3)46-33/h20-26,28-31,33,41H,16-19H2,1-15H3.

What are the key properties of 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione?

8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione has a molecular weight of 698.94 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-15-(2,2-dimethylpropyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione is sourced from PubChem (CID 59940658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).