(4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one

C23H29NO3 — CID 23660469

IUPAC(4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one
SMILESCCCC[C@@H](O)[C@H]1[C@@H](OCc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H29NO3/c1-2-3-14-20(25)23-21(27-17-19-12-8-5-9-13-19)15-22(26)24(23)16-18-10-6-4-7-11-18/h4-13,20-21,23,25H,2-3,14-17H2,1H3/t20-,21+,23+/m1/s1
InChIKeyXBBRLJDMFPZRMB-GIWBLDEGSA-N
MW367.49 g/mol
LogP3.92
Rot. Bonds9

About (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one

(4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one (PubChem CID 23660469) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one
PubChem CID23660469
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one
SMILESCCCC[C@@H](O)[C@H]1[C@@H](OCc2ccccc2)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H29NO3/c1-2-3-14-20(25)23-21(27-17-19-12-8-5-9-13-19)15-22(26)24(23)16-18-10-6-4-7-11-18/h4-13,20-21,23,25H,2-3,14-17H2,1H3/t20-,21+,23+/m1/s1
InChIKeyXBBRLJDMFPZRMB-GIWBLDEGSA-N
XLogP3.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-1-benzyl-5-[(1S)-1-hydroxy-2-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 101449496
(4R,5R)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060621
(4R,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060614
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
(1R)-1-[(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]ethane-1,2-diol
CID 10961028
1,3-dibenzyl-4-(hydroxymethyl)-5-(1-hydroxy-6-phenylmethoxyhexyl)imidazolidin-2-one
CID 131668265
4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one
CID 69338065
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
CID 11087728
(4S,5R)-1-benzyl-4-phenylmethoxy-5-pyridin-2-ylsulfanylpyrrolidin-2-one
CID 71600742
[(2S,3S)-2-acetyloxy-1-benzyl-5-oxopyrrolidin-3-yl] acetate
CID 10637302
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one (CID 23660469) is (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one is CCCC[C@@H](O)[C@H]1[C@@H](OCc2ccccc2)CC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is XBBRLJDMFPZRMB-GIWBLDEGSA-N. The full InChI is InChI=1S/C23H29NO3/c1-2-3-14-20(25)23-21(27-17-19-12-8-5-9-13-19)15-22(26)24(23)16-18-10-6-4-7-11-18/h4-13,20-21,23,25H,2-3,14-17H2,1H3/t20-,21+,23+/m1/s1.
What are the key properties of (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one?
(4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 367.49 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-benzyl-5-[(1R)-1-hydroxypentyl]-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 23660469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).