[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate

C31H38N2O3 — CID 5102129

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC(C(C)(C)CC)C2
InChIInChI=1S/C31H38N2O3/c1-6-20-12-11-13-21(7-2)29(20)33-27(34)19-36-30(35)28-23-14-9-10-15-25(23)32-26-17-16-22(18-24(26)28)31(4,5)8-3/h9-15,22H,6-8,16-19H2,1-5H3,(H,33,34)
InChIKeyDMXRTKQAPIEYQS-UHFFFAOYSA-N
MW486.66 g/mol
LogP6.70
Rot. Bonds8

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 5102129) has the molecular formula C31H38N2O3 and a molecular weight of 486.66 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID5102129
Molecular FormulaC31H38N2O3
Molecular Weight486.66 g/mol
Exact Mass486.29
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC(C(C)(C)CC)C2
InChIInChI=1S/C31H38N2O3/c1-6-20-12-11-13-21(7-2)29(20)33-27(34)19-36-30(35)28-23-14-9-10-15-25(23)32-26-17-16-22(18-24(26)28)31(4,5)8-3/h9-15,22H,6-8,16-19H2,1-5H3,(H,33,34)
InChIKeyDMXRTKQAPIEYQS-UHFFFAOYSA-N
XLogP6.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7854839
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 5094196
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23882177
[2-(2-cyanoethylamino)-2-oxoethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9321232
[2-(2-cyanoethylamino)-2-oxoethyl] (2R)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9321226
2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 5004878
[2-(2-iodoanilino)-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23969723
[2-(carbamoylamino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2691062
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 41167109
[2-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23885724
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839974

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 5102129) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate is CCc1cccc(CC)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC(C(C)(C)CC)C2.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is DMXRTKQAPIEYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O3/c1-6-20-12-11-13-21(7-2)29(20)33-27(34)19-36-30(35)28-23-14-9-10-15-25(23)32-26-17-16-22(18-24(26)28)31(4,5)8-3/h9-15,22H,6-8,16-19H2,1-5H3,(H,33,34).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 486.66 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 5102129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).