[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C23H26N2O5 — CID 8750360

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCOC3=O)c2C1
InChIInChI=1S/C23H26N2O5/c1-23(2,3)14-8-9-18-16(12-14)20(15-6-4-5-7-17(15)24-18)21(27)30-13-19(26)25-10-11-29-22(25)28/h4-7,14H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyRXPRKVGPHIBWSL-CQSZACIVSA-N
MW410.47 g/mol
LogP3.52
Rot. Bonds3

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 8750360) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID8750360
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCOC3=O)c2C1
InChIInChI=1S/C23H26N2O5/c1-23(2,3)14-8-9-18-16(12-14)20(15-6-4-5-7-17(15)24-18)21(27)30-13-19(26)25-10-11-29-22(25)28/h4-7,14H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyRXPRKVGPHIBWSL-CQSZACIVSA-N
XLogP3.52
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2585280
[2-(azepan-1-yl)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840040
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840055
[2-(carbamoylamino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2691062
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7872571
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840037
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839961
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839974
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2632002
[(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2600020
[2-(cyclooctylamino)-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3898235
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839977

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 8750360) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCOC3=O)c2C1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is RXPRKVGPHIBWSL-CQSZACIVSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-23(2,3)14-8-9-18-16(12-14)20(15-6-4-5-7-17(15)24-18)21(27)30-13-19(26)25-10-11-29-22(25)28/h4-7,14H,8-13H2,1-3H3/t14-/m1/s1.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 8750360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).