(3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione

C25H23NO4 — CID 134872145

IUPAC(3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
SMILESO=C1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H23NO4/c27-24-22(29-17-20-12-6-2-7-13-20)23(30-18-21-14-8-3-9-15-21)25(28)26(24)16-19-10-4-1-5-11-19/h1-15,22-23H,16-18H2/t22-,23-/m1/s1
InChIKeyBJFWSZFFQRFGGX-DHIUTWEWSA-N
MW401.46 g/mol
LogP3.73
Rot. Bonds8

About (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione

(3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione (PubChem CID 134872145) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
PubChem CID134872145
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name(3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
SMILESO=C1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H23NO4/c27-24-22(29-17-20-12-6-2-7-13-20)23(30-18-21-14-8-3-9-15-21)25(28)26(24)16-19-10-4-1-5-11-19/h1-15,22-23H,16-18H2/t22-,23-/m1/s1
InChIKeyBJFWSZFFQRFGGX-DHIUTWEWSA-N
XLogP3.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

COX inhibitor, 5a
CID 12444099
COX inhibitor, 8
CID 11021865
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CID 46229030
(1R,5S,7R)-3-benzyl-7-(morpholine-4-carbonyl)-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-2-one
CID 137642376
(3R,4R,5R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)-5-(trifluoromethyl)pyrrolidin-2-one
CID 139095353
(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione
CID 134872210
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
CID 10851542
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717
(3S)-1-Benzyl-3-(benzyloxy)pyrrolidine-2,5-dione
CID 11033761
methyl (1R,5S,7R)-3-benzyl-2-oxo-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
CID 91182938
(2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one
CID 121263053

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione (CID 134872145) is (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione is O=C1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione?
The InChIKey is BJFWSZFFQRFGGX-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H23NO4/c27-24-22(29-17-20-12-6-2-7-13-20)23(30-18-21-14-8-3-9-15-21)25(28)26(24)16-19-10-4-1-5-11-19/h1-15,22-23H,16-18H2/t22-,23-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione?
(3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione has a molecular weight of 401.46 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione is sourced from PubChem (CID 134872145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).