2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide

C24H35NO7 — CID 159332434

About 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide

2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide (PubChem CID 159332434) has the molecular formula C24H35NO7 and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide.

Molecular Properties

• Compound Name: 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide
• PubChem CID: 159332434
• Molecular Formula: C24H35NO7
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.24
• IUPAC Name: 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide
• SMILES: COc1ccc(C2OCC(C)(C)[C@H](C(=O)CCCC(O)C(=O)NCC3CCCO3)O2)cc1
• InChI: InChI=1S/C24H35NO7/c1-24(2)15-31-23(16-9-11-17(29-3)12-10-16)32-21(24)19(26)7-4-8-20(27)22(28)25-14-18-6-5-13-30-18/h9-12,18,20-21,23,27H,4-8,13-15H2,1-3H3,(H,25,28)/t18?,20?,21-,23?/m0/s1
• InChIKey: LFCUWWMWGYXEKV-WRNKUOSRSA-N
• XLogP: 2.53
• TPSA: 103.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide?

The IUPAC name of 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide (CID 159332434) is 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide.

What is the SMILES notation for 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide?

The canonical SMILES for 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide is COc1ccc(C2OCC(C)(C)[C@H](C(=O)CCCC(O)C(=O)NCC3CCCO3)O2)cc1.

What is the InChIKey of 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide?

The InChIKey is LFCUWWMWGYXEKV-WRNKUOSRSA-N. The full InChI is InChI=1S/C24H35NO7/c1-24(2)15-31-23(16-9-11-17(29-3)12-10-16)32-21(24)19(26)7-4-8-20(27)22(28)25-14-18-6-5-13-30-18/h9-12,18,20-21,23,27H,4-8,13-15H2,1-3H3,(H,25,28)/t18?,20?,21-,23?/m0/s1.

What are the key properties of 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide?

2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide has a molecular weight of 449.54 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-6-[(4R)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-4-yl]-6-oxo-N-(oxolan-2-ylmethyl)hexanamide is sourced from PubChem (CID 159332434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).