2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide

C24H20N2O3 — CID 17361193

IUPAC2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
SMILESCc1cccc(N2C(=O)c3ccc(C(=O)NCCc4ccccc4)cc3C2=O)c1
InChIInChI=1S/C24H20N2O3/c1-16-6-5-9-19(14-16)26-23(28)20-11-10-18(15-21(20)24(26)29)22(27)25-13-12-17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H,25,27)
InChIKeyVYKSXXBZOIYZHE-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide

2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide (PubChem CID 17361193) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
PubChem CID17361193
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
SMILESCc1cccc(N2C(=O)c3ccc(C(=O)NCCc4ccccc4)cc3C2=O)c1
InChIInChI=1S/C24H20N2O3/c1-16-6-5-9-19(14-16)26-23(28)20-11-10-18(15-21(20)24(26)29)22(27)25-13-12-17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H,25,27)
InChIKeyVYKSXXBZOIYZHE-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide
CID 24784519
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
2-[3-[1,3-dioxo-5-(3-phenylpropanoyl)isoindol-2-yl]phenyl]-5-(3-phenylpropanoyl)isoindole-1,3-dione
CID 161175486
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4863732
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
N-benzyl-1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
CID 9320693
3-[[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]benzoic acid
CID 108767656
2-[3-[(3-methylphenyl)methyl]phenyl]isoindole-1,3-dione
CID 164982744
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
CID 103951860
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 8643091
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide (CID 17361193) is 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide is Cc1cccc(N2C(=O)c3ccc(C(=O)NCCc4ccccc4)cc3C2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide?
The InChIKey is VYKSXXBZOIYZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-6-5-9-19(14-16)26-23(28)20-11-10-18(15-21(20)24(26)29)22(27)25-13-12-17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H,25,27).
What are the key properties of 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide?
2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 17361193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).