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

C19H18N2O3 — CID 2878123

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13(14-7-3-2-4-8-14)20-17(22)11-12-21-18(23)15-9-5-6-10-16(15)19(21)24/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyKDGWAIDMBFPEEM-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.55
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide (PubChem CID 2878123) 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-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
PubChem CID2878123
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13(14-7-3-2-4-8-14)20-17(22)11-12-21-18(23)15-9-5-6-10-16(15)19(21)24/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyKDGWAIDMBFPEEM-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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-(1-phenylethyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide (CID 2878123) is 3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is KDGWAIDMBFPEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(14-7-3-2-4-8-14)20-17(22)11-12-21-18(23)15-9-5-6-10-16(15)19(21)24/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.55, 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-(1-phenylethyl)propanamide is sourced from PubChem (CID 2878123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).