[2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate

C24H32N2O3 — CID 7854839

IUPAC[2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCCCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)CC)C2
InChIInChI=1S/C24H32N2O3/c1-5-13-25-21(27)15-29-23(28)22-17-9-7-8-10-19(17)26-20-12-11-16(14-18(20)22)24(3,4)6-2/h7-10,16H,5-6,11-15H2,1-4H3,(H,25,27)/t16-/m0/s1
InChIKeyKFQVTBXZXBFPML-INIZCTEOSA-N
MW396.53 g/mol
LogP4.46
Rot. Bonds7

About [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 7854839) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID7854839
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name[2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCCCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)CC)C2
InChIInChI=1S/C24H32N2O3/c1-5-13-25-21(27)15-29-23(28)22-17-9-7-8-10-19(17)26-20-12-11-16(14-18(20)22)24(3,4)6-2/h7-10,16H,5-6,11-15H2,1-4H3,(H,25,27)/t16-/m0/s1
InChIKeyKFQVTBXZXBFPML-INIZCTEOSA-N
XLogP4.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[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-oxo-2-(propylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599503
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 5102129
[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-methylpropylamino)-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839977
2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 5004878
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8007709
[2-(carbamoylamino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2691062
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839974
[2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599494

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 7854839) is [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate is CCCNC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)CC)C2.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is KFQVTBXZXBFPML-INIZCTEOSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-5-13-25-21(27)15-29-23(28)22-17-9-7-8-10-19(17)26-20-12-11-16(14-18(20)22)24(3,4)6-2/h7-10,16H,5-6,11-15H2,1-4H3,(H,25,27)/t16-/m0/s1.
What are the key properties of [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 396.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 7854839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).