[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate

C29H27NO5 — CID 2413371

About [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate (PubChem CID 2413371) has the molecular formula C29H27NO5 and a molecular weight of 469.54 g/mol. Its IUPAC name is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate.

Molecular Properties

• Compound Name: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
• PubChem CID: 2413371
• Molecular Formula: C29H27NO5
• Molecular Weight: 469.54 g/mol
• Exact Mass: 469.19
• IUPAC Name: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
• SMILES: Cn1c(-c2ccccc2)c(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c2ccccc21
• InChI: InChI=1S/C29H27NO5/c1-29(2)16-20-12-9-15-24(28(20)35-29)33-18-25(32)34-17-23(31)26-21-13-7-8-14-22(21)30(3)27(26)19-10-5-4-6-11-19/h4-15H,16-18H2,1-3H3
• InChIKey: MNFKLPMJCATTHW-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 66.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.54
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?

The IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate (CID 2413371) is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate.

What is the SMILES notation for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?

The canonical SMILES for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate is Cn1c(-c2ccccc2)c(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c2ccccc21.

What is the InChIKey of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?

The InChIKey is MNFKLPMJCATTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO5/c1-29(2)16-20-12-9-15-24(28(20)35-29)33-18-25(32)34-17-23(31)26-21-13-7-8-14-22(21)30(3)27(26)19-10-5-4-6-11-19/h4-15H,16-18H2,1-3H3.

What are the key properties of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate has a molecular weight of 469.54 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate is sourced from PubChem (CID 2413371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).