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

C19H24N2O3 — CID 142038050

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

2-(dimethylamino)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide (PubChem CID 142038050) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide
• PubChem CID: 142038050
• Molecular Formula: C19H24N2O3
• Molecular Weight: 328.41 g/mol
• Exact Mass: 328.18
• IUPAC Name: 2-(dimethylamino)-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)CN(C)C)cc2)C1
• InChI: InChI=1S/C19H24N2O3/c1-13-8-15-12-24-18(23)19(15,9-13)10-14-4-6-16(7-5-14)20-17(22)11-21(2)3/h4-7,15H,1,8-12H2,2-3H3,(H,20,22)
• InChIKey: YDXYTSZKRQTGIS-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.41
LogP ≤ 5	2.24
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 2-(dimethylamino)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide (CID 142038050) is 2-(dimethylamino)-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-(dimethylamino)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(dimethylamino)-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)CN(C)C)cc2)C1.

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

The InChIKey is YDXYTSZKRQTGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-8-15-12-24-18(23)19(15,9-13)10-14-4-6-16(7-5-14)20-17(22)11-21(2)3/h4-7,15H,1,8-12H2,2-3H3,(H,20,22).

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

2-(dimethylamino)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 142038050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).