[2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate

C32H29NO3 — CID 5135825

About [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate

[2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 5135825) has the molecular formula C32H29NO3 and a molecular weight of 475.59 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 5135825
• Molecular Formula: C32H29NO3
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.21
• IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: CCc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)C(=Cc2ccccc2)CC(C)C3)cc1
• InChI: InChI=1S/C32H29NO3/c1-3-22-13-15-24(16-14-22)29(34)20-36-32(35)30-26-11-7-8-12-28(26)33-31-25(17-21(2)18-27(30)31)19-23-9-5-4-6-10-23/h4-16,19,21H,3,17-18,20H2,1-2H3
• InChIKey: XMLCCTQUTMOEKE-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 56.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate (CID 5135825) is [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate is CCc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)C(=Cc2ccccc2)CC(C)C3)cc1.

What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?

The InChIKey is XMLCCTQUTMOEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO3/c1-3-22-13-15-24(16-14-22)29(34)20-36-32(35)30-26-11-7-8-12-28(26)33-31-25(17-21(2)18-27(30)31)19-23-9-5-4-6-10-23/h4-16,19,21H,3,17-18,20H2,1-2H3.

What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?

[2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 475.59 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 5135825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).