N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide

C19H18N2O3 — CID 710859

IUPACN-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O3/c1-2-20(12-14-8-4-3-5-9-14)17(22)13-21-18(23)15-10-6-7-11-16(15)19(21)24/h3-11H,2,12-13H2,1H3
InChIKeyRUEJZHOQCPQELS-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.33
Rot. Bonds5

About N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide

N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide (PubChem CID 710859) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide
PubChem CID710859
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O3/c1-2-20(12-14-8-4-3-5-9-14)17(22)13-21-18(23)15-10-6-7-11-16(15)19(21)24/h3-11H,2,12-13H2,1H3
InChIKeyRUEJZHOQCPQELS-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
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 N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide (CID 710859) is N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide?
The InChIKey is RUEJZHOQCPQELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-20(12-14-8-4-3-5-9-14)17(22)13-21-18(23)15-10-6-7-11-16(15)19(21)24/h3-11H,2,12-13H2,1H3.
What are the key properties of N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide?
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide has a molecular weight of 322.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide is sourced from PubChem (CID 710859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).