[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate

C24H23NO6 — CID 7983137

About [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate (PubChem CID 7983137) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate.

Molecular Properties

• Compound Name: [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
• PubChem CID: 7983137
• Molecular Formula: C24H23NO6
• Molecular Weight: 421.45 g/mol
• Exact Mass: 421.15
• IUPAC Name: [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
• SMILES: C[C@H](OC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N(C)c1ccccc1
• InChI: InChI=1S/C24H23NO6/c1-15(23(27)25(2)16-7-4-3-5-8-16)30-22(26)14-29-17-11-12-19-18-9-6-10-20(18)24(28)31-21(19)13-17/h3-5,7-8,11-13,15H,6,9-10,14H2,1-2H3/t15-/m0/s1
• InChIKey: WIFYSQHVYJMQLW-HNNXBMFYSA-N
• XLogP: 3.26
• TPSA: 86.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.45
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate?

The IUPAC name of [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate (CID 7983137) is [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate.

What is the SMILES notation for [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate?

The canonical SMILES for [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate is C[C@H](OC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)N(C)c1ccccc1.

What is the InChIKey of [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate?

The InChIKey is WIFYSQHVYJMQLW-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-15(23(27)25(2)16-7-4-3-5-8-16)30-22(26)14-29-17-11-12-19-18-9-6-10-20(18)24(28)31-21(19)13-17/h3-5,7-8,11-13,15H,6,9-10,14H2,1-2H3/t15-/m0/s1.

What are the key properties of [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate?

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate has a molecular weight of 421.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate is sourced from PubChem (CID 7983137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).