(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione

C20H21NO4 — CID 790044

IUPAC(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](Cc3ccccc3OC)C2=O)cc1
InChIInChI=1S/C20H21NO4/c1-3-25-17-10-8-16(9-11-17)21-19(22)13-15(20(21)23)12-14-6-4-5-7-18(14)24-2/h4-11,15H,3,12-13H2,1-2H3/t15-/m0/s1
InChIKeyDGJQGVSWZFAHHV-HNNXBMFYSA-N
MW339.39 g/mol
LogP3.22
Rot. Bonds6

About (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione

(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 790044) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID790044
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](Cc3ccccc3OC)C2=O)cc1
InChIInChI=1S/C20H21NO4/c1-3-25-17-10-8-16(9-11-17)21-19(22)13-15(20(21)23)12-14-6-4-5-7-18(14)24-2/h4-11,15H,3,12-13H2,1-2H3/t15-/m0/s1
InChIKeyDGJQGVSWZFAHHV-HNNXBMFYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 790044) is (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)C[C@H](Cc3ccccc3OC)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is DGJQGVSWZFAHHV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-25-17-10-8-16(9-11-17)21-19(22)13-15(20(21)23)12-14-6-4-5-7-18(14)24-2/h4-11,15H,3,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 339.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 790044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).