2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide

C24H25NO5 — CID 23392280

About 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide

2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide (PubChem CID 23392280) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide
• PubChem CID: 23392280
• Molecular Formula: C24H25NO5
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.17
• IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide
• SMILES: C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)Cc3ccc(O)c(OC)c3)cc2)C1
• InChI: InChI=1S/C24H25NO5/c1-15-9-18-14-30-23(28)24(18,12-15)13-16-3-6-19(7-4-16)25-22(27)11-17-5-8-20(26)21(10-17)29-2/h3-8,10,18,26H,1,9,11-14H2,2H3,(H,25,27)
• InChIKey: OZQKFEGQWSRRCF-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 84.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide (CID 23392280) is 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide is C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)Cc3ccc(O)c(OC)c3)cc2)C1.

What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide?

The InChIKey is OZQKFEGQWSRRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-15-9-18-14-30-23(28)24(18,12-15)13-16-3-6-19(7-4-16)25-22(27)11-17-5-8-20(26)21(10-17)29-2/h3-8,10,18,26H,1,9,11-14H2,2H3,(H,25,27).

What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide?

2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxy-3-methoxyphenyl)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 23392280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).