N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C25H19NO6 — CID 31483302

About N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 31483302) has the molecular formula C25H19NO6 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• PubChem CID: 31483302
• Molecular Formula: C25H19NO6
• Molecular Weight: 429.43 g/mol
• Exact Mass: 429.12
• IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• SMILES: CC(=O)c1cc2c(cc1NC(=O)c1ccc(COc3ccc4ccccc4c3)o1)OCO2
• InChI: InChI=1S/C25H19NO6/c1-15(27)20-11-23-24(31-14-30-23)12-21(20)26-25(28)22-9-8-19(32-22)13-29-18-7-6-16-4-2-3-5-17(16)10-18/h2-12H,13-14H2,1H3,(H,26,28)
• InChIKey: UOQBAKPIDXGWQY-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 87.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 31483302) is N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is CC(=O)c1cc2c(cc1NC(=O)c1ccc(COc3ccc4ccccc4c3)o1)OCO2.

What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The InChIKey is UOQBAKPIDXGWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO6/c1-15(27)20-11-23-24(31-14-30-23)12-21(20)26-25(28)22-9-8-19(32-22)13-29-18-7-6-16-4-2-3-5-17(16)10-18/h2-12H,13-14H2,1H3,(H,26,28).

What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 31483302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).