2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide

C19H18N2O4 — CID 2854501

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-3-25-14-10-8-13(9-11-14)20-17(22)12(2)21-18(23)15-6-4-5-7-16(15)19(21)24/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyPFIXTWKCGGGEDS-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.71
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide (PubChem CID 2854501) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide
PubChem CID2854501
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-3-25-14-10-8-13(9-11-14)20-17(22)12(2)21-18(23)15-6-4-5-7-16(15)19(21)24/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyPFIXTWKCGGGEDS-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.71
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-(4-ethoxyphenyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide (CID 2854501) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is PFIXTWKCGGGEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-14-10-8-13(9-11-14)20-17(22)12(2)21-18(23)15-6-4-5-7-16(15)19(21)24/h4-12H,3H2,1-2H3,(H,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 338.36 g/mol, XLogP of 2.71, 5 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-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 2854501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).