2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide

C25H24N2O3 — CID 15990960

IUPAC2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3C2=O)cc1
InChIInChI=1S/C25H24N2O3/c1-16(2)17-7-9-19(10-8-17)26-24(28)22-6-4-5-18-15-27(25(29)23(18)22)20-11-13-21(30-3)14-12-20/h4-14,16H,15H2,1-3H3,(H,26,28)
InChIKeyUGPOEXCKRMKJBF-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.23
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide

2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide (PubChem CID 15990960) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide
PubChem CID15990960
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3C2=O)cc1
InChIInChI=1S/C25H24N2O3/c1-16(2)17-7-9-19(10-8-17)26-24(28)22-6-4-5-18-15-27(25(29)23(18)22)20-11-13-21(30-3)14-12-20/h4-14,16H,15H2,1-3H3,(H,26,28)
InChIKeyUGPOEXCKRMKJBF-UHFFFAOYSA-N
XLogP5.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide (CID 15990960) is 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide is COc1ccc(N2Cc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide?
The InChIKey is UGPOEXCKRMKJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16(2)17-7-9-19(10-8-17)26-24(28)22-6-4-5-18-15-27(25(29)23(18)22)20-11-13-21(30-3)14-12-20/h4-14,16H,15H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide?
2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15990960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).