1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione

C23H19NO3 — CID 57032337

IUPAC1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c25-21-15-24(19-9-5-2-6-10-19)23(26)22(21)18-11-13-20(14-12-18)27-16-17-7-3-1-4-8-17/h1-14,22H,15-16H2
InChIKeyFJWPKNORKUTNJV-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.97
Rot. Bonds5

About 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione

1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione (PubChem CID 57032337) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione
PubChem CID57032337
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c25-21-15-24(19-9-5-2-6-10-19)23(26)22(21)18-11-13-20(14-12-18)27-16-17-7-3-1-4-8-17/h1-14,22H,15-16H2
InChIKeyFJWPKNORKUTNJV-UHFFFAOYSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,6R,7R)-4-(4-phenylmethoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11870124
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
CID 141321137
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
4-phenylmethoxyaniline
CID 159966727
1-ethyl-3-(4-phenylmethoxyphenyl)piperazin-2-one
CID 23225789
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 135389134
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione (CID 57032337) is 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione?
The InChIKey is FJWPKNORKUTNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-21-15-24(19-9-5-2-6-10-19)23(26)22(21)18-11-13-20(14-12-18)27-16-17-7-3-1-4-8-17/h1-14,22H,15-16H2.
What are the key properties of 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione?
1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 57032337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).