N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide

C15H16N2O5 — CID 820989

IUPACN-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide
SMILESCC1(CC(=O)NN2C(=O)c3ccccc3C2=O)OCCCO1
InChIInChI=1S/C15H16N2O5/c1-15(21-7-4-8-22-15)9-12(18)16-17-13(19)10-5-2-3-6-11(10)14(17)20/h2-3,5-6H,4,7-9H2,1H3,(H,16,18)
InChIKeyITHBXOWGBUJRJH-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.86
Rot. Bonds3

About N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide

N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide (PubChem CID 820989) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide
PubChem CID820989
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide
SMILESCC1(CC(=O)NN2C(=O)c3ccccc3C2=O)OCCCO1
InChIInChI=1S/C15H16N2O5/c1-15(21-7-4-8-22-15)9-12(18)16-17-13(19)10-5-2-3-6-11(10)14(17)20/h2-3,5-6H,4,7-9H2,1H3,(H,16,18)
InChIKeyITHBXOWGBUJRJH-UHFFFAOYSA-N
XLogP0.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
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 N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide (CID 820989) is N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide is CC1(CC(=O)NN2C(=O)c3ccccc3C2=O)OCCCO1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide?
The InChIKey is ITHBXOWGBUJRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-15(21-7-4-8-22-15)9-12(18)16-17-13(19)10-5-2-3-6-11(10)14(17)20/h2-3,5-6H,4,7-9H2,1H3,(H,16,18).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide?
N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide has a molecular weight of 304.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-(2-methyl-1,3-dioxan-2-yl)acetamide is sourced from PubChem (CID 820989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).