2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

C24H22N2O4 — CID 7175518

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
SMILESCc1ccc(-n2c(C)cc(C(=O)OCCN3C(=O)c4ccccc4C3=O)c2C)cc1
InChIInChI=1S/C24H22N2O4/c1-15-8-10-18(11-9-15)26-16(2)14-21(17(26)3)24(29)30-13-12-25-22(27)19-6-4-5-7-20(19)23(25)28/h4-11,14H,12-13H2,1-3H3
InChIKeyIGXJDTPCXBWZMY-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.86
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate (PubChem CID 7175518) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
PubChem CID7175518
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
SMILESCc1ccc(-n2c(C)cc(C(=O)OCCN3C(=O)c4ccccc4C3=O)c2C)cc1
InChIInChI=1S/C24H22N2O4/c1-15-8-10-18(11-9-15)26-16(2)14-21(17(26)3)24(29)30-13-12-25-22(27)19-6-4-5-7-20(19)23(25)28/h4-11,14H,12-13H2,1-3H3
InChIKeyIGXJDTPCXBWZMY-UHFFFAOYSA-N
XLogP3.86
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-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

(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methylindole-3-carboxylate
CID 16302467
ethyl 5-[(Z)-[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 117889747
2-(1,3-Dioxoisoindol-2-yl)ethyl 2-methylquinoline-4-carboxylate
CID 2092968
2-(1,3-Dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate
CID 2122711
[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 2535551
ethyl 2-methyl-1-{3-[methyl(4-methylphenyl)carbamoyl]phenyl}-5-phenyl-1H-pyrrole-3-carboxylate
CID 3608246
2-[2-[1-(4-Methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]isoindole-1,3-dione
CID 4804971
Ethyl 2-methyl-5-phenyl-1-(3-{[4-(propan-2-YL)phenyl]carbamoyl}propyl)-1H-pyrrole-3-carboxylate
CID 16034436
(2-Morpholin-4-yl-2-oxoethyl) 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 2118031
(2-Morpholin-4-yl-2-oxoethyl) 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2438336
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 16278563
ethyl 5-[(Z)-[5-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 117889652

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate (CID 7175518) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate is Cc1ccc(-n2c(C)cc(C(=O)OCCN3C(=O)c4ccccc4C3=O)c2C)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate?
The InChIKey is IGXJDTPCXBWZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15-8-10-18(11-9-15)26-16(2)14-21(17(26)3)24(29)30-13-12-25-22(27)19-6-4-5-7-20(19)23(25)28/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 7175518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).