[2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C22H28N2O3 — CID 2599494

IUPAC[2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2
InChIInChI=1S/C22H28N2O3/c1-14(2)10-11-23-20(25)13-27-22(26)21-16-6-4-5-7-18(16)24-19-9-8-15(3)12-17(19)21/h4-7,14-15H,8-13H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyORSMOASQWDDKMD-OAHLLOKOSA-N
MW368.48 g/mol
LogP3.68
Rot. Bonds6

About [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2599494) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2599494
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2
InChIInChI=1S/C22H28N2O3/c1-14(2)10-11-23-20(25)13-27-22(26)21-16-6-4-5-7-18(16)24-19-9-8-15(3)12-17(19)21/h4-7,14-15H,8-13H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyORSMOASQWDDKMD-OAHLLOKOSA-N
XLogP3.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(propylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599503
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696061
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2652513
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696059
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2102887
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8007709
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
[2-(methylcarbamoylamino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2631999
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139142
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2128146

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2599494) is [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC(C)CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2.
What is the InChIKey of [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is ORSMOASQWDDKMD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14(2)10-11-23-20(25)13-27-22(26)21-16-6-4-5-7-18(16)24-19-9-8-15(3)12-17(19)21/h4-7,14-15H,8-13H2,1-3H3,(H,23,25)/t15-/m1/s1.
What are the key properties of [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2599494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).