N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide

C17H14N2O5 — CID 894413

IUPACN-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H14N2O5/c1-23-11-3-5-12(6-4-11)24-9-15(20)18-10-2-7-13-14(8-10)17(22)19-16(13)21/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyQCMCPDSHVARQIX-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.60
Rot. Bonds5

About N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide

N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 894413) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID894413
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H14N2O5/c1-23-11-3-5-12(6-4-11)24-9-15(20)18-10-2-7-13-14(8-10)17(22)19-16(13)21/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyQCMCPDSHVARQIX-UHFFFAOYSA-N
XLogP1.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-5-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide (CID 894413) is N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is QCMCPDSHVARQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-23-11-3-5-12(6-4-11)24-9-15(20)18-10-2-7-13-14(8-10)17(22)19-16(13)21/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide?
N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 326.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 894413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).