2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide

C21H22N2O3 — CID 70495171

IUPAC2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide
SMILESCCNC(=O)c1cccc2c1C(=O)N(c1c(CC)cccc1CC)C2=O
InChIInChI=1S/C21H22N2O3/c1-4-13-9-7-10-14(5-2)18(13)23-20(25)16-12-8-11-15(17(16)21(23)26)19(24)22-6-3/h7-12H,4-6H2,1-3H3,(H,22,24)
InChIKeyAVOSNLPVOJXKJG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds5

About 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide

2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide (PubChem CID 70495171) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide
PubChem CID70495171
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide
SMILESCCNC(=O)c1cccc2c1C(=O)N(c1c(CC)cccc1CC)C2=O
InChIInChI=1S/C21H22N2O3/c1-4-13-9-7-10-14(5-2)18(13)23-20(25)16-12-8-11-15(17(16)21(23)26)19(24)22-6-3/h7-12H,4-6H2,1-3H3,(H,22,24)
InChIKeyAVOSNLPVOJXKJG-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 70493572
4-(chloromethyl)-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 70493264
2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 4866653
1,3-dioxo-2-(2-propan-2-yl-6-propylphenyl)isoindole-4-carboxylic acid
CID 70493545
[[2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxoisoindole-4-carbonyl]amino] acetate
CID 88708156
N-ethyl-2-(2-sulfanylphenyl)benzamide
CID 139949970
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 168516613
2-ethyl-3-(ethylcarbamoyl)benzoic acid
CID 169449850
5-chloro-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 13245428
N-ethyl-2-methyl-3-(2-methylphenyl)benzamide
CID 162214048
[2-(ethylcarbamoyl)phenyl]boronic acid
CID 77231606

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide?
The IUPAC name of 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide (CID 70495171) is 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide.
What is the SMILES notation for 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide?
The canonical SMILES for 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide is CCNC(=O)c1cccc2c1C(=O)N(c1c(CC)cccc1CC)C2=O.
What is the InChIKey of 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide?
The InChIKey is AVOSNLPVOJXKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-13-9-7-10-14(5-2)18(13)23-20(25)16-12-8-11-15(17(16)21(23)26)19(24)22-6-3/h7-12H,4-6H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide?
2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide is sourced from PubChem (CID 70495171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).