2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide

C15H16N2O4 — CID 2788419

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1CCCO1
InChIInChI=1S/C15H16N2O4/c18-13(16-8-10-4-3-7-21-10)9-17-14(19)11-5-1-2-6-12(11)15(17)20/h1-2,5-6,10H,3-4,7-9H2,(H,16,18)
InChIKeyGDBCSTGEWOLDRB-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.58
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2788419) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2788419
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1CCCO1
InChIInChI=1S/C15H16N2O4/c18-13(16-8-10-4-3-7-21-10)9-17-14(19)11-5-1-2-6-12(11)15(17)20/h1-2,5-6,10H,3-4,7-9H2,(H,16,18)
InChIKeyGDBCSTGEWOLDRB-UHFFFAOYSA-N
XLogP0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 2788419) is 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCC1CCCO1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GDBCSTGEWOLDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13(16-8-10-4-3-7-21-10)9-17-14(19)11-5-1-2-6-12(11)15(17)20/h1-2,5-6,10H,3-4,7-9H2,(H,16,18).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 288.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2788419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).