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

C25H26N4O5 — CID 167441368

IUPAC2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide
SMILESCN1C(=O)CCC(N2Cc3cc(NC(=O)c4ccccc4OCC4CNC4)ccc3C2=O)C1=O
InChIInChI=1S/C25H26N4O5/c1-28-22(30)9-8-20(25(28)33)29-13-16-10-17(6-7-18(16)24(29)32)27-23(31)19-4-2-3-5-21(19)34-14-15-11-26-12-15/h2-7,10,15,20,26H,8-9,11-14H2,1H3,(H,27,31)
InChIKeyPIVDHKUROTUAFW-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.64
Rot. Bonds6

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

2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide (PubChem CID 167441368) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide
PubChem CID167441368
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide
SMILESCN1C(=O)CCC(N2Cc3cc(NC(=O)c4ccccc4OCC4CNC4)ccc3C2=O)C1=O
InChIInChI=1S/C25H26N4O5/c1-28-22(30)9-8-20(25(28)33)29-13-16-10-17(6-7-18(16)24(29)32)27-23(31)19-4-2-3-5-21(19)34-14-15-11-26-12-15/h2-7,10,15,20,26H,8-9,11-14H2,1H3,(H,27,31)
InChIKeyPIVDHKUROTUAFW-UHFFFAOYSA-N
XLogP1.64
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
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-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide
CID 175849835
2-ethoxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27655862
N-[2-(2,7-dioxocyclononyl)-1-oxo-3H-isoindol-5-yl]-2-methylbenzamide
CID 170731830
N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide
CID 174375109
1-methyl-3-[6-(2-methylpropyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170278341
1-(3-chloro-4-methylphenyl)-3-[2-methyl-1-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propyl]urea
CID 166148789
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
CID 2233800
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]-3-phenoxybenzamide
CID 171088472
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
1-(hydroxymethyl)-3-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154122

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide?
The IUPAC name of 2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide (CID 167441368) is 2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide.
What is the SMILES notation for 2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide?
The canonical SMILES for 2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide is CN1C(=O)CCC(N2Cc3cc(NC(=O)c4ccccc4OCC4CNC4)ccc3C2=O)C1=O.
What is the InChIKey of 2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide?
The InChIKey is PIVDHKUROTUAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-28-22(30)9-8-20(25(28)33)29-13-16-10-17(6-7-18(16)24(29)32)27-23(31)19-4-2-3-5-21(19)34-14-15-11-26-12-15/h2-7,10,15,20,26H,8-9,11-14H2,1H3,(H,27,31).
What are the key properties of 2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide?
2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide has a molecular weight of 462.51 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide is sourced from PubChem (CID 167441368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).