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

C26H24N2O4 — CID 60621841

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C26H24N2O4/c1-4-32-23-14-11-18(16-28-25(30)20-7-5-6-8-21(20)26(28)31)15-22(23)24(29)27(3)19-12-9-17(2)10-13-19/h5-15H,4,16H2,1-3H3
InChIKeyLNHBLOPGBJMFOE-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.47
Rot. Bonds6

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

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide (PubChem CID 60621841) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
PubChem CID60621841
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C26H24N2O4/c1-4-32-23-14-11-18(16-28-25(30)20-7-5-6-8-21(20)26(28)31)15-22(23)24(29)27(3)19-12-9-17(2)10-13-19/h5-15H,4,16H2,1-3H3
InChIKeyLNHBLOPGBJMFOE-UHFFFAOYSA-N
XLogP4.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.47
H-Bond Donors ≤ 50
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 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide (CID 60621841) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)c1ccc(C)cc1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is LNHBLOPGBJMFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-4-32-23-14-11-18(16-28-25(30)20-7-5-6-8-21(20)26(28)31)15-22(23)24(29)27(3)19-12-9-17(2)10-13-19/h5-15H,4,16H2,1-3H3.
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 428.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 60621841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).