(4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one

C25H25NO2 — CID 11394641

IUPAC(4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H25NO2/c27-25-17-24(28-19-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)26(25)18-21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24+/m1/s1
InChIKeyUEBFWDIHBKYRSE-RPWUZVMVSA-N
MW371.48 g/mol
LogP4.62
Rot. Bonds7

About (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one

(4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one (PubChem CID 11394641) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one
PubChem CID11394641
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C25H25NO2/c27-25-17-24(28-19-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)26(25)18-21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24+/m1/s1
InChIKeyUEBFWDIHBKYRSE-RPWUZVMVSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S-cis)-(+)-Tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 854037
Acetic acid, phenyl-, alpha-((N-cyclohexyl-N-(phenylacetamido))methyl)benzyl ester
CID 38066
Pyrrolidine, 1-benzyl-3-(diphenylmethoxy)-, perchlorate
CID 3025249
(2S,4R)-N-benzhydryl-1-(2-ethylbutyl)-4-phenylmethoxypyrrolidine-2-carboxamide
CID 155538710
(4R)-4-benzyl-3-[(2S)-2-[(2-fluoro-4-methylphenyl)methyl]-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
CID 21580032
(5S)-1-[(E)-but-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 9979851
N-[(1R)-1-phenylethyl]-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide
CID 15349921
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10362761
(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
CID 10851542
Phenylmethyl (2R,4S)-5-oxo-2,4-diphenyl-3-oxazolidinecarboxylate
CID 10861658
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one (CID 11394641) is (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one is O=C1C[C@H](OCc2ccccc2)[C@@H](Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is UEBFWDIHBKYRSE-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H25NO2/c27-25-17-24(28-19-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)26(25)18-21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24+/m1/s1.
What are the key properties of (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one?
(4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1,5-dibenzyl-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 11394641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).