2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide

C35H64N4O7 — CID 167097992

About 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 167097992) has the molecular formula C35H64N4O7 and a molecular weight of 652.92 g/mol. Its IUPAC name is 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide
• PubChem CID: 167097992
• Molecular Formula: C35H64N4O7
• Molecular Weight: 652.92 g/mol
• Exact Mass: 652.48
• IUPAC Name: 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide
• SMILES: CO[C@]1(C)C[C@@H](C)CN(C)C(C2CN(CC(=O)N(C)C(C)C)C2)COC(=O)C(C)(C)C(=O)[C@H](C)[C@H]1O[C@H]1C[C@@H](N(C)C)C[C@@H](C)O1
• InChI: InChI=1S/C35H64N4O7/c1-22(2)38(12)29(40)20-39-18-26(19-39)28-21-44-33(42)34(6,7)31(41)25(5)32(35(8,43-13)16-23(3)17-37(28)11)46-30-15-27(36(9)10)14-24(4)45-30/h22-28,30,32H,14-21H2,1-13H3/t23-,24-,25+,27+,28?,30+,32-,35-/m1/s1
• InChIKey: AUOLOHVIBGDWRD-BBHMREJTSA-N
• XLogP: 3.15
• TPSA: 101.09 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.92
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide?

The IUPAC name of 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 167097992) is 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide?

The canonical SMILES for 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide is CO[C@]1(C)C[C@@H](C)CN(C)C(C2CN(CC(=O)N(C)C(C)C)C2)COC(=O)C(C)(C)C(=O)[C@H](C)[C@H]1O[C@H]1C[C@@H](N(C)C)C[C@@H](C)O1.

What is the InChIKey of 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide?

The InChIKey is AUOLOHVIBGDWRD-BBHMREJTSA-N. The full InChI is InChI=1S/C35H64N4O7/c1-22(2)38(12)29(40)20-39-18-26(19-39)28-21-44-33(42)34(6,7)31(41)25(5)32(35(8,43-13)16-23(3)17-37(28)11)46-30-15-27(36(9)10)14-24(4)45-30/h22-28,30,32H,14-21H2,1-13H3/t23-,24-,25+,27+,28?,30+,32-,35-/m1/s1.

What are the key properties of 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide?

2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 652.92 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(6R,8R,9R,10R)-9-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-11,13-dioxo-1-oxa-4-azacyclotridec-3-yl]azetidin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 167097992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).