[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone

C26H28N2O3 — CID 56567073

About [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone

[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone (PubChem CID 56567073) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone.

Molecular Properties

• Compound Name: [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
• PubChem CID: 56567073
• Molecular Formula: C26H28N2O3
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.21
• IUPAC Name: [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
• SMILES: CC1CN(C(=O)c2ccoc2CN2c3ccccc3CC2C)CC(c2ccccc2)O1
• InChI: InChI=1S/C26H28N2O3/c1-18-14-21-10-6-7-11-23(21)28(18)17-25-22(12-13-30-25)26(29)27-15-19(2)31-24(16-27)20-8-4-3-5-9-20/h3-13,18-19,24H,14-17H2,1-2H3
• InChIKey: ILDCLGDHVIVEPH-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 45.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?

The IUPAC name of [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone (CID 56567073) is [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone.

What is the SMILES notation for [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?

The canonical SMILES for [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccoc2CN2c3ccccc3CC2C)CC(c2ccccc2)O1.

What is the InChIKey of [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?

The InChIKey is ILDCLGDHVIVEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-14-21-10-6-7-11-23(21)28(18)17-25-22(12-13-30-25)26(29)27-15-19(2)31-24(16-27)20-8-4-3-5-9-20/h3-13,18-19,24H,14-17H2,1-2H3.

What are the key properties of [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?

[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone has a molecular weight of 416.52 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 56567073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).