(4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one

C20H23NO2 — CID 101060620

IUPAC(4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
SMILESCC[C@H]1[C@@H](OCc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-18-19(23-15-17-11-7-4-8-12-17)13-20(22)21(18)14-16-9-5-3-6-10-16/h3-12,18-19H,2,13-15H2,1H3/t18-,19-/m0/s1
InChIKeyUZXXTMRPHOWWAX-OALUTQOASA-N
MW309.41 g/mol
LogP3.78
Rot. Bonds6

About (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one

(4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one (PubChem CID 101060620) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
PubChem CID101060620
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
SMILESCC[C@H]1[C@@H](OCc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-18-19(23-15-17-11-7-4-8-12-17)13-20(22)21(18)14-16-9-5-3-6-10-16/h3-12,18-19H,2,13-15H2,1H3/t18-,19-/m0/s1
InChIKeyUZXXTMRPHOWWAX-OALUTQOASA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
COX inhibitor, 5a
CID 12444099
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
(3S-cis)-(+)-Tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 854037
COX inhibitor, 8
CID 11021865
N-(3-(Benzoyloxy)-1-methylbutyl)-N-methylbenzamide
CID 90020922
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585
[(2R,4R)-2-(aminomethyl)-4-phenylmethoxypyrrolidin-1-yl]-phenylmethanone
CID 44317489
3-Benzyl-5-phenyl-oxazolidine-2,4-dione
CID 272805
(4R,5S)-3-[(E,2R)-2-fluoro-5-phenylmethoxypent-3-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11079493
(4R,5S)-3-[(2R)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 15402825
(4R,5S)-3-[(E,2S)-2-fluoro-5-phenylmethoxypent-3-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 134905357

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one (CID 101060620) is (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one is CC[C@H]1[C@@H](OCc2ccccc2)CC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is UZXXTMRPHOWWAX-OALUTQOASA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-18-19(23-15-17-11-7-4-8-12-17)13-20(22)21(18)14-16-9-5-3-6-10-16/h3-12,18-19H,2,13-15H2,1H3/t18-,19-/m0/s1.
What are the key properties of (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one?
(4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 101060620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).