(4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one

C25H41NO2 — CID 10572311

IUPAC(4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
SMILESCC(C)C[C@@H]1NC(=O)C[C@@H]1O[C@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C25H41NO2/c1-14(2)10-22-23(13-24(27)26-22)28-18(9)25-20(16(5)6)11-19(15(3)4)12-21(25)17(7)8/h11-12,14-18,22-23H,10,13H2,1-9H3,(H,26,27)/t18-,22+,23+/m1/s1
InChIKeyPZISXVLAXCCLQB-LEOXJPRUSA-N
MW387.61 g/mol
LogP6.44
Rot. Bonds8

About (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one

(4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one (PubChem CID 10572311) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
PubChem CID10572311
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name(4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
SMILESCC(C)C[C@@H]1NC(=O)C[C@@H]1O[C@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C25H41NO2/c1-14(2)10-22-23(13-24(27)26-22)28-18(9)25-20(16(5)6)11-19(15(3)4)12-21(25)17(7)8/h11-12,14-18,22-23H,10,13H2,1-9H3,(H,26,27)/t18-,22+,23+/m1/s1
InChIKeyPZISXVLAXCCLQB-LEOXJPRUSA-N
XLogP6.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one with MolForge

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Related Compounds

(4-Tert-butyl-2,6-dimethylphenyl)methyl 5-oxopyrrolidine-2-carboxylate
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(4S,5S)-5-but-3-enyl-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one
CID 10643833
(1R,8aS)-1-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 15458255
1-[2-(2,5-Dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-4-ylpropan-1-one
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N-(4-aminobut-2-enyl)-3-(3,3-difluoro-1H-2-benzofuran-5-yl)-2-methoxypropanamide
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CID 135016220
CID 135016220
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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
The IUPAC name of (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one (CID 10572311) is (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one is CC(C)C[C@@H]1NC(=O)C[C@@H]1O[C@H](C)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
The InChIKey is PZISXVLAXCCLQB-LEOXJPRUSA-N. The full InChI is InChI=1S/C25H41NO2/c1-14(2)10-22-23(13-24(27)26-22)28-18(9)25-20(16(5)6)11-19(15(3)4)12-21(25)17(7)8/h11-12,14-18,22-23H,10,13H2,1-9H3,(H,26,27)/t18-,22+,23+/m1/s1.
What are the key properties of (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one?
(4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one has a molecular weight of 387.61 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(2-methylpropyl)-4-[(1R)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]pyrrolidin-2-one is sourced from PubChem (CID 10572311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).