5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C27H33N3O4 — CID 25162291

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H33N3O4/c1-6-34-22-12-11-17(16-30-24(32)19-9-7-8-10-20(19)25(30)33)13-21(22)23(31)28-18-14-26(2,3)29-27(4,5)15-18/h7-13,18,29H,6,14-16H2,1-5H3,(H,28,31)
InChIKeyFUOWZLTUFYRRAZ-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.92
Rot. Bonds6

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 25162291) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID25162291
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H33N3O4/c1-6-34-22-12-11-17(16-30-24(32)19-9-7-8-10-20(19)25(30)33)13-21(22)23(31)28-18-14-26(2,3)29-27(4,5)15-18/h7-13,18,29H,6,14-16H2,1-5H3,(H,28,31)
InChIKeyFUOWZLTUFYRRAZ-UHFFFAOYSA-N
XLogP3.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 25162291) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is FUOWZLTUFYRRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-6-34-22-12-11-17(16-30-24(32)19-9-7-8-10-20(19)25(30)33)13-21(22)23(31)28-18-14-26(2,3)29-27(4,5)15-18/h7-13,18,29H,6,14-16H2,1-5H3,(H,28,31).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 463.58 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 25162291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).