4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

C18H16N2O4 — CID 703463

IUPAC4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C18H16N2O4/c1-3-24-13-7-4-11(5-8-13)16(21)19-12-6-9-14-15(10-12)18(23)20(2)17(14)22/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyTYCDYCQSQOSUPG-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.56
Rot. Bonds4

About 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 703463) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
PubChem CID703463
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C18H16N2O4/c1-3-24-13-7-4-11(5-8-13)16(21)19-12-6-9-14-15(10-12)18(23)20(2)17(14)22/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyTYCDYCQSQOSUPG-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.56
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 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (CID 703463) is 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1.
What is the InChIKey of 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is TYCDYCQSQOSUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-24-13-7-4-11(5-8-13)16(21)19-12-6-9-14-15(10-12)18(23)20(2)17(14)22/h4-10H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 324.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 703463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).