2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide

C24H24N4O5 — CID 175849835

IUPAC2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide
SMILESO=C1CCC(N2Cc3cc(NC(=O)c4ccccc4OCC4CNC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H24N4O5/c29-21-8-7-19(23(31)27-21)28-12-15-9-16(5-6-17(15)24(28)32)26-22(30)18-3-1-2-4-20(18)33-13-14-10-25-11-14/h1-6,9,14,19,25H,7-8,10-13H2,(H,26,30)(H,27,29,31)
InChIKeyDTUGEPOIVPEDHV-UHFFFAOYSA-N
MW448.48 g/mol
LogP1.30
Rot. Bonds6

About 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide

2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide (PubChem CID 175849835) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide
PubChem CID175849835
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide
SMILESO=C1CCC(N2Cc3cc(NC(=O)c4ccccc4OCC4CNC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H24N4O5/c29-21-8-7-19(23(31)27-21)28-12-15-9-16(5-6-17(15)24(28)32)26-22(30)18-3-1-2-4-20(18)33-13-14-10-25-11-14/h1-6,9,14,19,25H,7-8,10-13H2,(H,26,30)(H,27,29,31)
InChIKeyDTUGEPOIVPEDHV-UHFFFAOYSA-N
XLogP1.30
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide
CID 167441368
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenoxybenzamide
CID 171088472
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylprop-2-enamide
CID 171088427
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-1-phenylimidazole-4-carboxamide
CID 170628932
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
CID 175806262
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 177187864
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
3-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-pyrrole-2-carboxamide
CID 177187855
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxynaphthalene-2-carboxamide
CID 166819388
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
CID 177187974
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide
CID 166426637

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide?
The IUPAC name of 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide (CID 175849835) is 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide.
What is the SMILES notation for 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide?
The canonical SMILES for 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide is O=C1CCC(N2Cc3cc(NC(=O)c4ccccc4OCC4CNC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide?
The InChIKey is DTUGEPOIVPEDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c29-21-8-7-19(23(31)27-21)28-12-15-9-16(5-6-17(15)24(28)32)26-22(30)18-3-1-2-4-20(18)33-13-14-10-25-11-14/h1-6,9,14,19,25H,7-8,10-13H2,(H,26,30)(H,27,29,31).
What are the key properties of 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide?
2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide has a molecular weight of 448.48 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethoxy)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide is sourced from PubChem (CID 175849835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).