(5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one

C24H37NO2 — CID 101025894

IUPAC(5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1CCC(=O)N1c1ccccc1C(C)(C)C
InChIInChI=1S/C24H37NO2/c1-16(2)18-12-11-17(3)15-21(18)27-23-14-13-22(26)25(23)20-10-8-7-9-19(20)24(4,5)6/h7-10,16-18,21,23H,11-15H2,1-6H3/t17-,18+,21-,23-/m1/s1
InChIKeyHJYUCFMCFKMMAL-NNTZPNAXSA-N
MW371.57 g/mol
LogP5.91
Rot. Bonds4

About (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one

(5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one (PubChem CID 101025894) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one
PubChem CID101025894
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1CCC(=O)N1c1ccccc1C(C)(C)C
InChIInChI=1S/C24H37NO2/c1-16(2)18-12-11-17(3)15-21(18)27-23-14-13-22(26)25(23)20-10-8-7-9-19(20)24(4,5)6/h7-10,16-18,21,23H,11-15H2,1-6H3/t17-,18+,21-,23-/m1/s1
InChIKeyHJYUCFMCFKMMAL-NNTZPNAXSA-N
XLogP5.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene
CID 101156511
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
CID 6365001
CID 6365001
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]oxyphenyl]propan-2-yl phosphite
CID 58611008
(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one
CID 101074917
(2R)-4-chloro-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 102241496
3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
CID 4049586
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-anilinocarbamate
CID 154685218
2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenoxyphosphoryl]propan-2-ylbenzene
CID 131849135
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one?
The IUPAC name of (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one (CID 101025894) is (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one?
The canonical SMILES for (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1CCC(=O)N1c1ccccc1C(C)(C)C.
What is the InChIKey of (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one?
The InChIKey is HJYUCFMCFKMMAL-NNTZPNAXSA-N. The full InChI is InChI=1S/C24H37NO2/c1-16(2)18-12-11-17(3)15-21(18)27-23-14-13-22(26)25(23)20-10-8-7-9-19(20)24(4,5)6/h7-10,16-18,21,23H,11-15H2,1-6H3/t17-,18+,21-,23-/m1/s1.
What are the key properties of (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one?
(5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one has a molecular weight of 371.57 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(2-tert-butylphenyl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypyrrolidin-2-one is sourced from PubChem (CID 101025894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).