4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide

C18H21N3O5 — CID 166694940

IUPAC4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OCC2CNC2)cc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C18H21N3O5/c1-21(15-4-5-16(23)20-17(15)24)18(25)14-3-2-13(6-12(14)9-22)26-10-11-7-19-8-11/h2-3,6,9,11,15,19H,4-5,7-8,10H2,1H3,(H,20,23,24)
InChIKeyBDOXHYLJBCDHSL-UHFFFAOYSA-N
MW359.38 g/mol
LogP-0.03
Rot. Bonds6

About 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide

4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide (PubChem CID 166694940) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide.

Molecular Properties

Compound Name4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
PubChem CID166694940
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OCC2CNC2)cc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C18H21N3O5/c1-21(15-4-5-16(23)20-17(15)24)18(25)14-3-2-13(6-12(14)9-22)26-10-11-7-19-8-11/h2-3,6,9,11,15,19H,4-5,7-8,10H2,1H3,(H,20,23,24)
InChIKeyBDOXHYLJBCDHSL-UHFFFAOYSA-N
XLogP-0.03
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide?
The IUPAC name of 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide (CID 166694940) is 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide.
What is the SMILES notation for 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide?
The canonical SMILES for 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide is CN(C(=O)c1ccc(OCC2CNC2)cc1C=O)C1CCC(=O)NC1=O.
What is the InChIKey of 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide?
The InChIKey is BDOXHYLJBCDHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-21(15-4-5-16(23)20-17(15)24)18(25)14-3-2-13(6-12(14)9-22)26-10-11-7-19-8-11/h2-3,6,9,11,15,19H,4-5,7-8,10H2,1H3,(H,20,23,24).
What are the key properties of 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide?
4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide has a molecular weight of 359.38 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide is sourced from PubChem (CID 166694940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).