2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C18H16N2O4 — CID 710865

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-24-13-8-6-12(7-9-13)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyQNSKWOFHCRYADT-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.61
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 710865) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID710865
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-24-13-8-6-12(7-9-13)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyQNSKWOFHCRYADT-UHFFFAOYSA-N
XLogP1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.61
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-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 710865) is 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is QNSKWOFHCRYADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-13-8-6-12(7-9-13)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 1.61, 5 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-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 710865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).