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

C17H14N2O4 — CID 879404

IUPACN-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-23-12-8-6-11(7-9-12)10-15(20)18-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-9H,10H2,1H3,(H,18,20)
InChIKeyWLLCDXFJTNQVOU-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.57
Rot. Bonds4

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

N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 879404) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID879404
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-23-12-8-6-11(7-9-12)10-15(20)18-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-9H,10H2,1H3,(H,18,20)
InChIKeyWLLCDXFJTNQVOU-UHFFFAOYSA-N
XLogP1.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.57
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 N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide (CID 879404) is N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is WLLCDXFJTNQVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-12-8-6-11(7-9-12)10-15(20)18-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 879404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).