[4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate

C24H19NO4 — CID 1184334

IUPAC[4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc(-c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C24H19NO4/c1-16-6-8-17(9-7-16)18-10-12-19(13-11-18)29-22(26)14-15-25-23(27)20-4-2-3-5-21(20)24(25)28/h2-13H,14-15H2,1H3
InChIKeyURXYPNBRUWXAMQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.25
Rot. Bonds5

About [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate

[4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 1184334) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID1184334
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name[4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc(-c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C24H19NO4/c1-16-6-8-17(9-7-16)18-10-12-19(13-11-18)29-22(26)14-15-25-23(27)20-4-2-3-5-21(20)24(25)28/h2-13H,14-15H2,1H3
InChIKeyURXYPNBRUWXAMQ-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate 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

(4-hydroxyphenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 23906269
(4-chlorophenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 2133038
(4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7901050
[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 19176414
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
(4-bromophenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 1303817
[4-(1,3-benzothiazol-2-yl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 39964683
(3-propan-2-ylphenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 8908855
5,6,7,8-tetrahydronaphthalen-2-yl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 110493689
(4-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670574
bis(4-methylphenyl) butanedioate
CID 14740597
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 39112793

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate (CID 1184334) is [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate is Cc1ccc(-c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is URXYPNBRUWXAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-16-6-8-17(9-7-16)18-10-12-19(13-11-18)29-22(26)14-15-25-23(27)20-4-2-3-5-21(20)24(25)28/h2-13H,14-15H2,1H3.
What are the key properties of [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate?
[4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 385.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 1184334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).