[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

C26H33NO4 — CID 25372972

IUPAC[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C26H33NO4/c1-16(2)18-13-12-17(3)14-23(18)31-24(28)15-30-26(29)25-19-8-4-6-10-21(19)27-22-11-7-5-9-20(22)25/h4,6,8,10,16-18,23H,5,7,9,11-15H2,1-3H3/t17-,18+,23+/m1/s1
InChIKeyCJXLAZCJVZXDAK-STSQHVNTSA-N
MW423.55 g/mol
LogP5.27
Rot. Bonds5

About [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 25372972) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID25372972
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C26H33NO4/c1-16(2)18-13-12-17(3)14-23(18)31-24(28)15-30-26(29)25-19-8-4-6-10-21(19)27-22-11-7-5-9-20(22)25/h4,6,8,10,16-18,23H,5,7,9,11-15H2,1-3H3/t17-,18+,23+/m1/s1
InChIKeyCJXLAZCJVZXDAK-STSQHVNTSA-N
XLogP5.27
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23904705
[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] quinoline-2-carboxylate
CID 3672460
[2-oxo-2-(propan-2-ylamino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626930
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7300487
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 51669994
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585241
[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-iodobenzoate
CID 4004911
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 4-iodobenzoate
CID 51695389
[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-iodobenzoate
CID 4017621
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889895
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 3-methylbenzoate
CID 7437824
[2-(cyclohexylamino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23771577

Frequently Asked Questions

What is the IUPAC name of [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 25372972) is [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is CJXLAZCJVZXDAK-STSQHVNTSA-N. The full InChI is InChI=1S/C26H33NO4/c1-16(2)18-13-12-17(3)14-23(18)31-24(28)15-30-26(29)25-19-8-4-6-10-21(19)27-22-11-7-5-9-20(22)25/h4,6,8,10,16-18,23H,5,7,9,11-15H2,1-3H3/t17-,18+,23+/m1/s1.
What are the key properties of [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 423.55 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 25372972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).