2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide

C25H22N2O4 — CID 2791502

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H22N2O4/c1-16-12-13-22(31-2)20(14-16)26-23(28)21(15-17-8-4-3-5-9-17)27-24(29)18-10-6-7-11-19(18)25(27)30/h3-14,21H,15H2,1-2H3,(H,26,28)
InChIKeyVJFUCFMAKOKBKX-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.85
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide (PubChem CID 2791502) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
PubChem CID2791502
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H22N2O4/c1-16-12-13-22(31-2)20(14-16)26-23(28)21(15-17-8-4-3-5-9-17)27-24(29)18-10-6-7-11-19(18)25(27)30/h3-14,21H,15H2,1-2H3,(H,26,28)
InChIKeyVJFUCFMAKOKBKX-UHFFFAOYSA-N
XLogP3.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide (CID 2791502) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide is COc1ccc(C)cc1NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide?
The InChIKey is VJFUCFMAKOKBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-16-12-13-22(31-2)20(14-16)26-23(28)21(15-17-8-4-3-5-9-17)27-24(29)18-10-6-7-11-19(18)25(27)30/h3-14,21H,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide has a molecular weight of 414.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2791502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).