2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

C25H22N6O5 — CID 167836283

IUPAC2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCc1cc(C)cc(-c2cn(CC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)c1
InChIInChI=1S/C25H22N6O5/c1-13-8-14(2)10-15(9-13)18-11-30(29-28-18)12-21(33)26-17-5-3-4-16-22(17)25(36)31(24(16)35)19-6-7-20(32)27-23(19)34/h3-5,8-11,19H,6-7,12H2,1-2H3,(H,26,33)(H,27,32,34)
InChIKeyFJASPZHDTQPOHI-UHFFFAOYSA-N
MW486.49 g/mol
LogP1.60
Rot. Bonds5

About 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 167836283) has the molecular formula C25H22N6O5 and a molecular weight of 486.49 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID167836283
Molecular FormulaC25H22N6O5
Molecular Weight486.49 g/mol
Exact Mass486.17
IUPAC Name2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCc1cc(C)cc(-c2cn(CC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)c1
InChIInChI=1S/C25H22N6O5/c1-13-8-14(2)10-15(9-13)18-11-30(29-28-18)12-21(33)26-17-5-3-4-16-22(17)25(36)31(24(16)35)19-6-7-20(32)27-23(19)34/h3-5,8-11,19H,6-7,12H2,1-2H3,(H,26,33)(H,27,32,34)
InChIKeyFJASPZHDTQPOHI-UHFFFAOYSA-N
XLogP1.60
TPSA143.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;sulfane
CID 157200020
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate
CID 10134792
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 155292086
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-hydroxypentanamide
CID 155292111
2-(2-chloroethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139466001
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-hydroxyhexanamide
CID 155292112
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139035832
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[4-(4-iodobutoxy)butoxy]acetamide
CID 139465973
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
2-[4-(4-chlorobutoxy)butoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139465974
2-[4-(2,4-dichlorophenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
CID 167925578
4-(4-aminopiperidin-1-yl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 156865627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (CID 167836283) is 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is Cc1cc(C)cc(-c2cn(CC(=O)Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is FJASPZHDTQPOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O5/c1-13-8-14(2)10-15(9-13)18-11-30(29-28-18)12-21(33)26-17-5-3-4-16-22(17)25(36)31(24(16)35)19-6-7-20(32)27-23(19)34/h3-5,8-11,19H,6-7,12H2,1-2H3,(H,26,33)(H,27,32,34).
What are the key properties of 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 486.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 167836283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).