5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

C26H28N2O4 — CID 19458923

About 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 19458923) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
• PubChem CID: 19458923
• Molecular Formula: C26H28N2O4
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.20
• IUPAC Name: 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(COc2ccc3c(c2)CCC3)o1
• InChI: InChI=1S/C26H28N2O4/c29-26(27-22-6-1-3-19(15-22)17-28-11-13-30-14-12-28)25-10-9-24(32-25)18-31-23-8-7-20-4-2-5-21(20)16-23/h1,3,6-10,15-16H,2,4-5,11-14,17-18H2,(H,27,29)
• InChIKey: HFBGLESKVMLSHS-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (CID 19458923) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(COc2ccc3c(c2)CCC3)o1.

What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

The InChIKey is HFBGLESKVMLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c29-26(27-22-6-1-3-19(15-22)17-28-11-13-30-14-12-28)25-10-9-24(32-25)18-31-23-8-7-20-4-2-5-21(20)16-23/h1,3,6-10,15-16H,2,4-5,11-14,17-18H2,(H,27,29).

What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19458923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).