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

C19H19NO4 — CID 932254

IUPAC(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](Cc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C19H19NO4/c1-23-16-8-6-15(7-9-16)20-18(21)12-14(19(20)22)10-13-4-3-5-17(11-13)24-2/h3-9,11,14H,10,12H2,1-2H3/t14-/m0/s1
InChIKeyLXZHUIREZMZDOQ-AWEZNQCLSA-N
MW325.36 g/mol
LogP2.83
Rot. Bonds5

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

(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 932254) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID932254
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](Cc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C19H19NO4/c1-23-16-8-6-15(7-9-16)20-18(21)12-14(19(20)22)10-13-4-3-5-17(11-13)24-2/h3-9,11,14H,10,12H2,1-2H3/t14-/m0/s1
InChIKeyLXZHUIREZMZDOQ-AWEZNQCLSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione
CID 141142430
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
(3R)-1-(4-methoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261246
(3R)-3-benzyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1212986
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2865163
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 790044
(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130910
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 932254) is (3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@H](Cc3cccc(OC)c3)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is LXZHUIREZMZDOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-16-8-6-15(7-9-16)20-18(21)12-14(19(20)22)10-13-4-3-5-17(11-13)24-2/h3-9,11,14H,10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 325.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 932254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).