3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide

C19H18N2O3 — CID 708416

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O3/c1-2-13-7-3-6-10-16(13)20-17(22)11-12-21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyPVZQUNQVFBBAPG-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.87
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide (PubChem CID 708416) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide
PubChem CID708416
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O3/c1-2-13-7-3-6-10-16(13)20-17(22)11-12-21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyPVZQUNQVFBBAPG-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide (CID 708416) is 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide?
The InChIKey is PVZQUNQVFBBAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-13-7-3-6-10-16(13)20-17(22)11-12-21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 708416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).