2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate

C24H19NO4 — CID 26096168

IUPAC2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)OCCc3ccccc3)cc2C1=O
InChIInChI=1S/C24H19NO4/c1-16-7-5-6-10-21(16)25-22(26)19-12-11-18(15-20(19)23(25)27)24(28)29-14-13-17-8-3-2-4-9-17/h2-12,15H,13-14H2,1H3
InChIKeyGZGKWWFTSBUYCG-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.20
Rot. Bonds5

About 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate

2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate (PubChem CID 26096168) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
PubChem CID26096168
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)OCCc3ccccc3)cc2C1=O
InChIInChI=1S/C24H19NO4/c1-16-7-5-6-10-21(16)25-22(26)19-12-11-18(15-20(19)23(25)27)24(28)29-14-13-17-8-3-2-4-9-17/h2-12,15H,13-14H2,1H3
InChIKeyGZGKWWFTSBUYCG-UHFFFAOYSA-N
XLogP4.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)ethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 7187678
phenacyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1035034
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2593270
(2-butoxy-2-oxoethyl) 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16569951
2-phenoxyethyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 7270492
[2-(butylamino)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2593286
1,3-dichloropropan-2-yl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1036799
(2,4-dichlorophenyl)methyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 18285008
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2593276
2-ethoxyethyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24518426
[2-[butyl(methyl)amino]-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 8886213
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2593500

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate (CID 26096168) is 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate is Cc1ccccc1N1C(=O)c2ccc(C(=O)OCCc3ccccc3)cc2C1=O.
What is the InChIKey of 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is GZGKWWFTSBUYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-16-7-5-6-10-21(16)25-22(26)19-12-11-18(15-20(19)23(25)27)24(28)29-14-13-17-8-3-2-4-9-17/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate?
2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 26096168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).