3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione

C19H17NO4 — CID 15149331

IUPAC3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione
SMILESCOc1ccc(CN2CC(=O)C(C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17NO4/c1-24-15-9-7-13(8-10-15)11-20-12-16(21)17(19(20)23)18(22)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyYMTAQUUZPXTQLE-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.11
Rot. Bonds5

About 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione

3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione (PubChem CID 15149331) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione
PubChem CID15149331
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione
SMILESCOc1ccc(CN2CC(=O)C(C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17NO4/c1-24-15-9-7-13(8-10-15)11-20-12-16(21)17(19(20)23)18(22)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyYMTAQUUZPXTQLE-UHFFFAOYSA-N
XLogP2.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[(4-methoxyphenyl)methyl]-4-methylidene-2-oxopyrrolidine-3-carboxylate
CID 134841852
(3R,4S)-4-benzoyl-1-benzyl-3-[methoxy-(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 102080275
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one
CID 134936672
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 93017903
(3S)-1-[(4-methoxyphenyl)methyl]-3-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-2,5-dione
CID 164699527
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
(3aS,6R,7S,7aR)-2-[(4-methoxyphenyl)methyl]-6,7-diphenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 46178711

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione?
The IUPAC name of 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione (CID 15149331) is 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione?
The canonical SMILES for 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione is COc1ccc(CN2CC(=O)C(C(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione?
The InChIKey is YMTAQUUZPXTQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-24-15-9-7-13(8-10-15)11-20-12-16(21)17(19(20)23)18(22)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3.
What are the key properties of 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione?
3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione has a molecular weight of 323.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 15149331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).