(3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione

C21H23NO5 — CID 51513036

IUPAC(3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione
SMILESCCOc1ccc(OC[C@@H](O)CN2C(=O)C[C@H](c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H23NO5/c1-2-26-17-8-10-18(11-9-17)27-14-16(23)13-22-20(24)12-19(21(22)25)15-6-4-3-5-7-15/h3-11,16,19,23H,2,12-14H2,1H3/t16-,19+/m0/s1
InChIKeyCPXOKXRLQJSYBB-QFBILLFUSA-N
MW369.42 g/mol
LogP2.37
Rot. Bonds8

About (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione

(3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 51513036) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID51513036
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione
SMILESCCOc1ccc(OC[C@@H](O)CN2C(=O)C[C@H](c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H23NO5/c1-2-26-17-8-10-18(11-9-17)27-14-16(23)13-22-20(24)12-19(21(22)25)15-6-4-3-5-7-15/h3-11,16,19,23H,2,12-14H2,1H3/t16-,19+/m0/s1
InChIKeyCPXOKXRLQJSYBB-QFBILLFUSA-N
XLogP2.37
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3aS,7aS)-2-[(2R)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 31573196
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethoxyphenoxy)propan-2-ol
CID 2381176
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 18087043
(8aR)-2-[(2S)-2-hydroxy-3-phenoxypropyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 94796145
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione
CID 2880296
1-benzyl-3-[3-(4-bromophenoxy)-2-hydroxypropyl]-5-phenylimidazolidine-2,4-dione
CID 60611151
(8aR)-2-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 97262724

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione (CID 51513036) is (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione is CCOc1ccc(OC[C@@H](O)CN2C(=O)C[C@H](c3ccccc3)C2=O)cc1.
What is the InChIKey of (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is CPXOKXRLQJSYBB-QFBILLFUSA-N. The full InChI is InChI=1S/C21H23NO5/c1-2-26-17-8-10-18(11-9-17)27-14-16(23)13-22-20(24)12-19(21(22)25)15-6-4-3-5-7-15/h3-11,16,19,23H,2,12-14H2,1H3/t16-,19+/m0/s1.
What are the key properties of (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione?
(3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 369.42 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 51513036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).