N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C19H18N2O3 — CID 2855207

IUPACN-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-12(2)10-14(9-11)20-17(22)13(3)21-18(23)15-6-4-5-7-16(15)19(21)24/h4-10,13H,1-3H3,(H,20,22)
InChIKeyUGPJXIBBLHQGHT-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.93
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 2855207) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID2855207
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-12(2)10-14(9-11)20-17(22)13(3)21-18(23)15-6-4-5-7-16(15)19(21)24/h4-10,13H,1-3H3,(H,20,22)
InChIKeyUGPJXIBBLHQGHT-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide 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 N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 2855207) is N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is Cc1cc(C)cc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is UGPJXIBBLHQGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-8-12(2)10-14(9-11)20-17(22)13(3)21-18(23)15-6-4-5-7-16(15)19(21)24/h4-10,13H,1-3H3,(H,20,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 2855207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).