[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C26H36N2O3 — CID 7872571

About [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 7872571) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

• Compound Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
• PubChem CID: 7872571
• Molecular Formula: C26H36N2O3
• Molecular Weight: 424.59 g/mol
• Exact Mass: 424.27
• IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
• SMILES: CC(C)N(C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)C(C)C
• InChI: InChI=1S/C26H36N2O3/c1-16(2)28(17(3)4)23(29)15-31-25(30)24-19-10-8-9-11-21(19)27-22-13-12-18(14-20(22)24)26(5,6)7/h8-11,16-18H,12-15H2,1-7H3/t18-/m1/s1
• InChIKey: OGLJHYPUJQBRSM-GOSISDBHSA-N
• XLogP: 5.19
• TPSA: 59.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.59
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?

The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 7872571) is [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?

The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC(C)N(C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)C(C)C.

What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?

The InChIKey is OGLJHYPUJQBRSM-GOSISDBHSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-16(2)28(17(3)4)23(29)15-31-25(30)24-19-10-8-9-11-21(19)27-22-13-12-18(14-20(22)24)26(5,6)7/h8-11,16-18H,12-15H2,1-7H3/t18-/m1/s1.

What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 424.59 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 7872571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).