N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide

C28H33NO3 — CID 19458905

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

N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (PubChem CID 19458905) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19458905
• Molecular Formula: C28H33NO3
• Molecular Weight: 431.58 g/mol
• Exact Mass: 431.25
• IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
• SMILES: CCC(C)c1ccc(C(CC)NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1
• InChI: InChI=1S/C28H33NO3/c1-4-19(3)20-9-11-22(12-10-20)26(5-2)29-28(30)27-16-15-25(32-27)18-31-24-14-13-21-7-6-8-23(21)17-24/h9-17,19,26H,4-8,18H2,1-3H3,(H,29,30)
• InChIKey: LVPCROQTHFTWAG-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 51.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (CID 19458905) is N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.

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

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

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

The InChIKey is LVPCROQTHFTWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-4-19(3)20-9-11-22(12-10-20)26(5-2)29-28(30)27-16-15-25(32-27)18-31-24-14-13-21-7-6-8-23(21)17-24/h9-17,19,26H,4-8,18H2,1-3H3,(H,29,30).

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

N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 6.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19458905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).