N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide

C26H28N2O4 — CID 31645387

About N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide

N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide (PubChem CID 31645387) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
• PubChem CID: 31645387
• Molecular Formula: C26H28N2O4
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.20
• IUPAC Name: N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
• SMILES: CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3
• InChI: InChI=1S/C26H28N2O4/c1-27(16-18-7-2-3-10-23(18)28-13-4-5-14-28)25(29)17-31-19-11-12-21-20-8-6-9-22(20)26(30)32-24(21)15-19/h2-3,7,10-12,15H,4-6,8-9,13-14,16-17H2,1H3
• InChIKey: RLIWINZVWLCBFA-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 62.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?

The IUPAC name of N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide (CID 31645387) is N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide.

What is the SMILES notation for N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?

The canonical SMILES for N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide is CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3.

What is the InChIKey of N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?

The InChIKey is RLIWINZVWLCBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-27(16-18-7-2-3-10-23(18)28-13-4-5-14-28)25(29)17-31-19-11-12-21-20-8-6-9-22(20)26(30)32-24(21)15-19/h2-3,7,10-12,15H,4-6,8-9,13-14,16-17H2,1H3.

What are the key properties of N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?

N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 31645387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).