ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide

C37H55FN2O3 — CID 143655775

About ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide

ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide (PubChem CID 143655775) has the molecular formula C37H55FN2O3 and a molecular weight of 594.86 g/mol. Its IUPAC name is ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
• PubChem CID: 143655775
• Molecular Formula: C37H55FN2O3
• Molecular Weight: 594.86 g/mol
• Exact Mass: 594.42
• IUPAC Name: ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
• SMILES: CC.CC.CCn1c(/C=C/[C@@H]2C[C@H](CC(=O)N(CC(C)C)C(C)C)OC(C)(C)O2)c(-c2ccc(F)cc2)c2ccccc21
• InChI: InChI=1S/C33H43FN2O3.2C2H6/c1-8-35-29-12-10-9-11-28(29)32(24-13-15-25(34)16-14-24)30(35)18-17-26-19-27(39-33(6,7)38-26)20-31(37)36(23(4)5)21-22(2)3;2*1-2/h9-18,22-23,26-27H,8,19-21H2,1-7H3;2*1-2H3/b18-17+;;/t26-,27-;;/m1../s1
• InChIKey: CVRRZRYJLTWGOP-GTTVHWKGSA-N
• XLogP: 9.73
• TPSA: 43.70 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.86
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?

The IUPAC name of ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide (CID 143655775) is ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide.

What is the SMILES notation for ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?

The canonical SMILES for ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide is CC.CC.CCn1c(/C=C/[C@@H]2C[C@H](CC(=O)N(CC(C)C)C(C)C)OC(C)(C)O2)c(-c2ccc(F)cc2)c2ccccc21.

What is the InChIKey of ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?

The InChIKey is CVRRZRYJLTWGOP-GTTVHWKGSA-N. The full InChI is InChI=1S/C33H43FN2O3.2C2H6/c1-8-35-29-12-10-9-11-28(29)32(24-13-15-25(34)16-14-24)30(35)18-17-26-19-27(39-33(6,7)38-26)20-31(37)36(23(4)5)21-22(2)3;2*1-2/h9-18,22-23,26-27H,8,19-21H2,1-7H3;2*1-2H3/b18-17+;;/t26-,27-;;/m1../s1.

What are the key properties of ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?

ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide has a molecular weight of 594.86 g/mol, XLogP of 9.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[(4R,6S)-6-[(E)-2-[1-ethyl-3-(4-fluorophenyl)indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 143655775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).