N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide

C25H27NO3 — CID 23392550

About N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide

N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 23392550) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide
• PubChem CID: 23392550
• Molecular Formula: C25H27NO3
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.20
• IUPAC Name: N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide
• SMILES: C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)CCc3ccc(C)cc3)cc2)C1
• InChI: InChI=1S/C25H27NO3/c1-17-3-5-19(6-4-17)9-12-23(27)26-22-10-7-20(8-11-22)15-25-14-18(2)13-21(25)16-29-24(25)28/h3-8,10-11,21H,2,9,12-16H2,1H3,(H,26,27)
• InChIKey: FRCBNQAPPJNFBZ-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide (CID 23392550) is N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide.

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

The canonical SMILES for N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide is C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)CCc3ccc(C)cc3)cc2)C1.

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

The InChIKey is FRCBNQAPPJNFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-17-3-5-19(6-4-17)9-12-23(27)26-22-10-7-20(8-11-22)15-25-14-18(2)13-21(25)16-29-24(25)28/h3-8,10-11,21H,2,9,12-16H2,1H3,(H,26,27).

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

N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 389.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 23392550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).