N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

C24H19N3O5 — CID 1271232

IUPACN-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(NC(C)=O)cc4)cc3C2=O)cc1
InChIInChI=1S/C24H19N3O5/c1-14(28)25-16-4-6-17(7-5-16)26-22(29)15-3-12-20-21(13-15)24(31)27(23(20)30)18-8-10-19(32-2)11-9-18/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyPYRYPXPKEDHMLI-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.71
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1271232) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1271232
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC NameN-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(NC(C)=O)cc4)cc3C2=O)cc1
InChIInChI=1S/C24H19N3O5/c1-14(28)25-16-4-6-17(7-5-16)26-22(29)15-3-12-20-21(13-15)24(31)27(23(20)30)18-8-10-19(32-2)11-9-18/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyPYRYPXPKEDHMLI-UHFFFAOYSA-N
XLogP3.71
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.71
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-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 1271232) is N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(NC(C)=O)cc4)cc3C2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PYRYPXPKEDHMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-14(28)25-16-4-6-17(7-5-16)26-22(29)15-3-12-20-21(13-15)24(31)27(23(20)30)18-8-10-19(32-2)11-9-18/h3-13H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1271232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).