N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H16N2O5 — CID 2738648

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1COc2ccccc2O1
InChIInChI=1S/C19H16N2O5/c22-17(10-21-18(23)13-5-1-2-6-14(13)19(21)24)20-9-12-11-25-15-7-3-4-8-16(15)26-12/h1-8,12H,9-11H2,(H,20,22)
InChIKeyFCTFMFQBSPYSOT-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.24
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2738648) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2738648
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCC1COc2ccccc2O1
InChIInChI=1S/C19H16N2O5/c22-17(10-21-18(23)13-5-1-2-6-14(13)19(21)24)20-9-12-11-25-15-7-3-4-8-16(15)26-12/h1-8,12H,9-11H2,(H,20,22)
InChIKeyFCTFMFQBSPYSOT-UHFFFAOYSA-N
XLogP1.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.24
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-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 2738648) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is FCTFMFQBSPYSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-17(10-21-18(23)13-5-1-2-6-14(13)19(21)24)20-9-12-11-25-15-7-3-4-8-16(15)26-12/h1-8,12H,9-11H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 352.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2738648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).