[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate

C24H24N2O5 — CID 9056744

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1C
InChIInChI=1S/C24H24N2O5/c1-14-4-5-18(10-15(14)2)25-13-17(12-23(25)29)24(30)31-19-6-7-20(16(3)11-19)26-21(27)8-9-22(26)28/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1
InChIKeySQWLINBOTHFXRH-QGZVFWFLSA-N
MW420.47 g/mol
LogP3.22
Rot. Bonds4

About [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate

[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 9056744) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID9056744
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1C
InChIInChI=1S/C24H24N2O5/c1-14-4-5-18(10-15(14)2)25-13-17(12-23(25)29)24(30)31-19-6-7-20(16(3)11-19)26-21(27)8-9-22(26)28/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1
InChIKeySQWLINBOTHFXRH-QGZVFWFLSA-N
XLogP3.22
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057122
(3,4-dimethylphenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056903
(3,4-dimethylphenyl) (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 973275
[4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-methylphenyl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 98214838
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
[4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-methylphenyl] (3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 27904476
(3,4-dimethylphenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057592
(3,4-dimethylphenyl) (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9097264
[4-[(3aS,4R,7aS)-4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-3-methylphenyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 100808319
[4-[(3aS,4S,7aS)-4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-3-methylphenyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 51529206
[4-[(3aS,4R,7aR)-4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-3-methylphenyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 100808317
(4-methoxyphenyl) 1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 43044149

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 9056744) is [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1C.
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SQWLINBOTHFXRH-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-4-5-18(10-15(14)2)25-13-17(12-23(25)29)24(30)31-19-6-7-20(16(3)11-19)26-21(27)8-9-22(26)28/h4-7,10-11,17H,8-9,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9056744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).