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

C20H23NO4 — CID 23392578

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

N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]oxolane-2-carboxamide (PubChem CID 23392578) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]oxolane-2-carboxamide
• PubChem CID: 23392578
• Molecular Formula: C20H23NO4
• Molecular Weight: 341.41 g/mol
• Exact Mass: 341.16
• IUPAC Name: N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]oxolane-2-carboxamide
• SMILES: C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)C3CCCO3)cc2)C1
• InChI: InChI=1S/C20H23NO4/c1-13-9-15-12-25-19(23)20(15,10-13)11-14-4-6-16(7-5-14)21-18(22)17-3-2-8-24-17/h4-7,15,17H,1-3,8-12H2,(H,21,22)
• InChIKey: OIHQOGSGLYOURG-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.41
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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]oxolane-2-carboxamide?

The IUPAC name of N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]oxolane-2-carboxamide (CID 23392578) is N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]oxolane-2-carboxamide.

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

The canonical SMILES for N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]oxolane-2-carboxamide is C=C1CC2COC(=O)C2(Cc2ccc(NC(=O)C3CCCO3)cc2)C1.

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

The InChIKey is OIHQOGSGLYOURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-9-15-12-25-19(23)20(15,10-13)11-14-4-6-16(7-5-14)21-18(22)17-3-2-8-24-17/h4-7,15,17H,1-3,8-12H2,(H,21,22).

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

N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]oxolane-2-carboxamide is sourced from PubChem (CID 23392578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).