2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C27H24N2O5 — CID 155486625

About 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 155486625) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 155486625
• Molecular Formula: C27H24N2O5
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.17
• IUPAC Name: 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: COc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCc3cccn3C)ccc2c1
• InChI: InChI=1S/C27H24N2O5/c1-16-11-23-25(27(31)33-16)22(14-24(30)28-15-20-5-4-10-29(20)2)26(34-23)19-7-6-18-13-21(32-3)9-8-17(18)12-19/h4-13H,14-15H2,1-3H3,(H,28,30)
• InChIKey: JSQMQTZYAMUEOJ-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 86.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 155486625) is 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is COc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCc3cccn3C)ccc2c1.

What is the InChIKey of 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is JSQMQTZYAMUEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-16-11-23-25(27(31)33-16)22(14-24(30)28-15-20-5-4-10-29(20)2)26(34-23)19-7-6-18-13-21(32-3)9-8-17(18)12-19/h4-13H,14-15H2,1-3H3,(H,28,30).

What are the key properties of 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 456.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 155486625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).