1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C24H25N3O4 — CID 46568492

IUPAC1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2=O)c1C
InChIInChI=1S/C24H25N3O4/c1-15-4-3-5-20(16(15)2)26-14-18(12-23(26)30)24(31)25-19-8-6-17(7-9-19)13-27-21(28)10-11-22(27)29/h3-9,18H,10-14H2,1-2H3,(H,25,31)
InChIKeyNXOYVGWGGTWDAG-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.94
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46568492) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46568492
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2=O)c1C
InChIInChI=1S/C24H25N3O4/c1-15-4-3-5-20(16(15)2)26-14-18(12-23(26)30)24(31)25-19-8-6-17(7-9-19)13-27-21(28)10-11-22(27)29/h3-9,18H,10-14H2,1-2H3,(H,25,31)
InChIKeyNXOYVGWGGTWDAG-UHFFFAOYSA-N
XLogP2.94
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8712792
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509
1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51147058
(3S)-N-[4-(diethylcarbamoyl)phenyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8503756
(3R)-N-(4-bromo-3-chlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529072
N-(3-acetamido-4-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55746681
1-(2,3-dimethylphenyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46585095
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
(3R)-1-(2,3-dimethylphenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7925003
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
(3R)-1-(3-chloro-2-methylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523156
(3R)-1-(2,6-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523130

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 46568492) is 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NXOYVGWGGTWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-4-3-5-20(16(15)2)26-14-18(12-23(26)30)24(31)25-19-8-6-17(7-9-19)13-27-21(28)10-11-22(27)29/h3-9,18H,10-14H2,1-2H3,(H,25,31).
What are the key properties of 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46568492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).