4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide

C25H29N3O5 — CID 174631059

IUPAC4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc3c(c2)C(O)N(C2CCC(=O)NC2=O)C3O)cc1
InChIInChI=1S/C25H29N3O5/c1-25(2,3)16-7-5-15(6-8-16)21(30)26-13-14-4-9-17-18(12-14)24(33)28(23(17)32)19-10-11-20(29)27-22(19)31/h4-9,12,19,23-24,32-33H,10-11,13H2,1-3H3,(H,26,30)(H,27,29,31)
InChIKeyJLQNUDCSFORRBG-UHFFFAOYSA-N
MW451.52 g/mol
LogP2.02
Rot. Bonds4

About 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide

4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide (PubChem CID 174631059) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide
PubChem CID174631059
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc3c(c2)C(O)N(C2CCC(=O)NC2=O)C3O)cc1
InChIInChI=1S/C25H29N3O5/c1-25(2,3)16-7-5-15(6-8-16)21(30)26-13-14-4-9-17-18(12-14)24(33)28(23(17)32)19-10-11-20(29)27-22(19)31/h4-9,12,19,23-24,32-33H,10-11,13H2,1-3H3,(H,26,30)(H,27,29,31)
InChIKeyJLQNUDCSFORRBG-UHFFFAOYSA-N
XLogP2.02
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307
2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid
CID 170693844
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531
N-[[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]-4-ethylbenzamide
CID 174616849
N-[(4-tert-butylphenyl)methyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]triazole-4-carboxamide
CID 166428190
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-methylsulfonylbenzamide
CID 44538015
2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 142761599
N-[[3-(2,6-dioxopiperidin-3-yl)-4-hydroxy-2-methyl-4H-quinazolin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 163659696
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 24789038
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-ethylsulfonylbenzamide
CID 90871517
N-[[4-(aminomethyl)phenyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 166426269
1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]methyl]-3-naphthalen-1-ylurea
CID 145021910

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide (CID 174631059) is 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccc3c(c2)C(O)N(C2CCC(=O)NC2=O)C3O)cc1.
What is the InChIKey of 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide?
The InChIKey is JLQNUDCSFORRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-25(2,3)16-7-5-15(6-8-16)21(30)26-13-14-4-9-17-18(12-14)24(33)28(23(17)32)19-10-11-20(29)27-22(19)31/h4-9,12,19,23-24,32-33H,10-11,13H2,1-3H3,(H,26,30)(H,27,29,31).
What are the key properties of 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide?
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide has a molecular weight of 451.52 g/mol, XLogP of 2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide is sourced from PubChem (CID 174631059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).