[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C32H32N2O4 — CID 4602638

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 4602638) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 4602638
• Molecular Formula: C32H32N2O4
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.24
• IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)CCC2
• InChI: InChI=1S/C32H32N2O4/c1-32(2,3)34(20-22-11-5-4-6-12-22)28(35)21-38-31(36)29-25-15-7-8-17-27(25)33-30-23(13-9-16-26(29)30)19-24-14-10-18-37-24/h4-8,10-12,14-15,17-19H,9,13,16,20-21H2,1-3H3
• InChIKey: NXLSUIRAULPRFJ-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 72.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (CID 4602638) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)CCC2.

What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The InChIKey is NXLSUIRAULPRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-32(2,3)34(20-22-11-5-4-6-12-22)28(35)21-38-31(36)29-25-15-7-8-17-27(25)33-30-23(13-9-16-26(29)30)19-24-14-10-18-37-24/h4-8,10-12,14-15,17-19H,9,13,16,20-21H2,1-3H3.

What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 508.62 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 4602638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).