(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione

C17H18N2O3 — CID 725535

IUPAC(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCc2ccco2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16-11-15(18-12-14-7-4-10-22-14)17(21)19(16)9-8-13-5-2-1-3-6-13/h1-7,10,15,18H,8-9,11-12H2/t15-/m1/s1
InChIKeyAGHCTKRIOYPGCC-OAHLLOKOSA-N
MW298.34 g/mol
LogP1.74
Rot. Bonds6

About (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione

(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 725535) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID725535
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NCc2ccco2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16-11-15(18-12-14-7-4-10-22-14)17(21)19(16)9-8-13-5-2-1-3-6-13/h1-7,10,15,18H,8-9,11-12H2/t15-/m1/s1
InChIKeyAGHCTKRIOYPGCC-OAHLLOKOSA-N
XLogP1.74
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636084
(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 51509569
N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
CID 3766254
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
CID 795693
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 86073076
1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione
CID 42911442
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 71897160
(3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 1255523
1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 25373724
4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
CID 46298395
1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione
CID 62524032

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 725535) is (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione is O=C1C[C@@H](NCc2ccco2)C(=O)N1CCc1ccccc1.
What is the InChIKey of (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is AGHCTKRIOYPGCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16-11-15(18-12-14-7-4-10-22-14)17(21)19(16)9-8-13-5-2-1-3-6-13/h1-7,10,15,18H,8-9,11-12H2/t15-/m1/s1.
What are the key properties of (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 298.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 725535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).