2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide

C26H29N3O3 — CID 56564858

About 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide (PubChem CID 56564858) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide
• PubChem CID: 56564858
• Molecular Formula: C26H29N3O3
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.22
• IUPAC Name: 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide
• SMILES: CC1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(CN2CCOCC2)c1
• InChI: InChI=1S/C26H29N3O3/c1-19-15-21-6-2-3-8-24(21)29(19)18-25-23(9-12-32-25)26(30)27-22-7-4-5-20(16-22)17-28-10-13-31-14-11-28/h2-9,12,16,19H,10-11,13-15,17-18H2,1H3,(H,27,30)
• InChIKey: NLIVBKOSLNRUCF-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 57.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide?

The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide (CID 56564858) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide.

What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide?

The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide is CC1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(CN2CCOCC2)c1.

What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide?

The InChIKey is NLIVBKOSLNRUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19-15-21-6-2-3-8-24(21)29(19)18-25-23(9-12-32-25)26(30)27-22-7-4-5-20(16-22)17-28-10-13-31-14-11-28/h2-9,12,16,19H,10-11,13-15,17-18H2,1H3,(H,27,30).

What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide?

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 56564858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).