N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide

C23H41F2NO7 — CID 143918596

About N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide

N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide (PubChem CID 143918596) has the molecular formula C23H41F2NO7 and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide
• PubChem CID: 143918596
• Molecular Formula: C23H41F2NO7
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.29
• IUPAC Name: N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide
• SMILES: C=C1CC(C(O)C(=O)NC(CCC(F)(F)C(C)(C)[C@H](O)CC(CO)OC)OC)OC(C)[C@@H]1C
• InChI: InChI=1S/C23H41F2NO7/c1-13-10-17(33-15(3)14(13)2)20(29)21(30)26-19(32-7)8-9-23(24,25)22(4,5)18(28)11-16(12-27)31-6/h14-20,27-29H,1,8-12H2,2-7H3,(H,26,30)/t14-,15?,16?,17?,18-,19?,20?/m1/s1
• InChIKey: OZEFVYYJCWLVET-QUJYSYLXSA-N
• XLogP: 2.01
• TPSA: 117.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide?

The IUPAC name of N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide (CID 143918596) is N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide.

What is the SMILES notation for N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide?

The canonical SMILES for N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide is C=C1CC(C(O)C(=O)NC(CCC(F)(F)C(C)(C)[C@H](O)CC(CO)OC)OC)OC(C)[C@@H]1C.

What is the InChIKey of N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide?

The InChIKey is OZEFVYYJCWLVET-QUJYSYLXSA-N. The full InChI is InChI=1S/C23H41F2NO7/c1-13-10-17(33-15(3)14(13)2)20(29)21(30)26-19(32-7)8-9-23(24,25)22(4,5)18(28)11-16(12-27)31-6/h14-20,27-29H,1,8-12H2,2-7H3,(H,26,30)/t14-,15?,16?,17?,18-,19?,20?/m1/s1.

What are the key properties of N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide?

N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide has a molecular weight of 481.58 g/mol, XLogP of 2.01, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6R)-4,4-difluoro-6,9-dihydroxy-1,8-dimethoxy-5,5-dimethylnonyl]-2-[(5R)-5,6-dimethyl-4-methylideneoxan-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 143918596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).