5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

C26H29NO4 — CID 110279746

About 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 110279746) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
• PubChem CID: 110279746
• Molecular Formula: C26H29NO4
• Molecular Weight: 419.52 g/mol
• Exact Mass: 419.21
• IUPAC Name: 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
• SMILES: CC(C)c1ccc(C(O)CNC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1
• InChI: InChI=1S/C26H29NO4/c1-17(2)18-6-8-20(9-7-18)24(28)15-27-26(29)25-13-12-23(31-25)16-30-22-11-10-19-4-3-5-21(19)14-22/h6-14,17,24,28H,3-5,15-16H2,1-2H3,(H,27,29)
• InChIKey: GJRQSOWDFRRWGX-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 71.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.52
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (CID 110279746) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.

What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is CC(C)c1ccc(C(O)CNC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1.

What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The InChIKey is GJRQSOWDFRRWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-17(2)18-6-8-20(9-7-18)24(28)15-27-26(29)25-13-12-23(31-25)16-30-22-11-10-19-4-3-5-21(19)14-22/h6-14,17,24,28H,3-5,15-16H2,1-2H3,(H,27,29).

What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 419.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110279746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).