3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione

C18H17NO3 — CID 2868945

IUPAC3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccccc1CC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17NO3/c1-22-16-10-6-5-7-13(16)11-14-12-17(20)19(18(14)21)15-8-3-2-4-9-15/h2-10,14H,11-12H2,1H3
InChIKeyMTSWAFKWRLHMQL-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.82
Rot. Bonds4

About 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione

3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 2868945) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione
PubChem CID2868945
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccccc1CC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17NO3/c1-22-16-10-6-5-7-13(16)11-14-12-17(20)19(18(14)21)15-8-3-2-4-9-15/h2-10,14H,11-12H2,1H3
InChIKeyMTSWAFKWRLHMQL-UHFFFAOYSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione (CID 2868945) is 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione is COc1ccccc1CC1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is MTSWAFKWRLHMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-16-10-6-5-7-13(16)11-14-12-17(20)19(18(14)21)15-8-3-2-4-9-15/h2-10,14H,11-12H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione?
3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 295.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2868945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).