2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide

C20H18N2O3 — CID 70494866

IUPAC2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide
SMILESC=CCc1c(C)ccc(C)c1N1C(=O)c2cccc(C(N)=O)c2C1=O
InChIInChI=1S/C20H18N2O3/c1-4-6-13-11(2)9-10-12(3)17(13)22-19(24)15-8-5-7-14(18(21)23)16(15)20(22)25/h4-5,7-10H,1,6H2,2-3H3,(H2,21,23)
InChIKeyJPSCLHSFEZFZEZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.93
Rot. Bonds4

About 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide

2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide (PubChem CID 70494866) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide
PubChem CID70494866
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide
SMILESC=CCc1c(C)ccc(C)c1N1C(=O)c2cccc(C(N)=O)c2C1=O
InChIInChI=1S/C20H18N2O3/c1-4-6-13-11(2)9-10-12(3)17(13)22-19(24)15-8-5-7-14(18(21)23)16(15)20(22)25/h4-5,7-10H,1,6H2,2-3H3,(H2,21,23)
InChIKeyJPSCLHSFEZFZEZ-UHFFFAOYSA-N
XLogP2.93
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide?
The IUPAC name of 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide (CID 70494866) is 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide.
What is the SMILES notation for 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide?
The canonical SMILES for 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide is C=CCc1c(C)ccc(C)c1N1C(=O)c2cccc(C(N)=O)c2C1=O.
What is the InChIKey of 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide?
The InChIKey is JPSCLHSFEZFZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-4-6-13-11(2)9-10-12(3)17(13)22-19(24)15-8-5-7-14(18(21)23)16(15)20(22)25/h4-5,7-10H,1,6H2,2-3H3,(H2,21,23).
What are the key properties of 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide?
2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide is sourced from PubChem (CID 70494866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).