N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide

C19H18N2O3 — CID 102234851

IUPACN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide
SMILESCCN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-20(17(22)14-8-4-3-5-9-14)12-13-21-18(23)15-10-6-7-11-16(15)19(21)24/h3-11H,2,12-13H2,1H3
InChIKeyVUXHXXFQHWDUII-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide (PubChem CID 102234851) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide
PubChem CID102234851
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide
SMILESCCN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-20(17(22)14-8-4-3-5-9-14)12-13-21-18(23)15-10-6-7-11-16(15)19(21)24/h3-11H,2,12-13H2,1H3
InChIKeyVUXHXXFQHWDUII-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
CID 10577175
2-amino-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide;ethane-1,2-diimine
CID 145106429
CID 174412487
CID 174412487
3-[(1,3-dioxoisoindol-2-yl)methyl]-1,1-diethylurea
CID 19258990
ethane;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 143933020
bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912
N-ethyl-N-[2-(ethylamino)ethyl]benzamide
CID 12892915
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 60519917
benzyl-[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 57370580

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide (CID 102234851) is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide is CCN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide?
The InChIKey is VUXHXXFQHWDUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-20(17(22)14-8-4-3-5-9-14)12-13-21-18(23)15-10-6-7-11-16(15)19(21)24/h3-11H,2,12-13H2,1H3.
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide?
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide has a molecular weight of 322.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-ethylbenzamide is sourced from PubChem (CID 102234851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).