N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide

C22H24N2O3 — CID 70494208

IUPACN-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide
SMILESCCc1cccc(C(C)CC)c1N(C)C(=O)c1cccc2c1C(=O)NC2=O
InChIInChI=1S/C22H24N2O3/c1-5-13(3)15-10-7-9-14(6-2)19(15)24(4)22(27)17-12-8-11-16-18(17)21(26)23-20(16)25/h7-13H,5-6H2,1-4H3,(H,23,25,26)
InChIKeyVIVXHLKKUIMEMB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.92
Rot. Bonds5

About N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide

N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide (PubChem CID 70494208) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide
PubChem CID70494208
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide
SMILESCCc1cccc(C(C)CC)c1N(C)C(=O)c1cccc2c1C(=O)NC2=O
InChIInChI=1S/C22H24N2O3/c1-5-13(3)15-10-7-9-14(6-2)19(15)24(4)22(27)17-12-8-11-16-18(17)21(26)23-20(16)25/h7-13H,5-6H2,1-4H3,(H,23,25,26)
InChIKeyVIVXHLKKUIMEMB-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.92
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

ML SA1
CID 2880983
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
2,6-Dimethylphenylphthalimide
CID 73324
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
SF-51
CID 1219451
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
N-(2,6-di(propan-2-yl)phenyl)benzamide
CID 709320
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide?
The IUPAC name of N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide (CID 70494208) is N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide.
What is the SMILES notation for N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide?
The canonical SMILES for N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide is CCc1cccc(C(C)CC)c1N(C)C(=O)c1cccc2c1C(=O)NC2=O.
What is the InChIKey of N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide?
The InChIKey is VIVXHLKKUIMEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-13(3)15-10-7-9-14(6-2)19(15)24(4)22(27)17-12-8-11-16-18(17)21(26)23-20(16)25/h7-13H,5-6H2,1-4H3,(H,23,25,26).
What are the key properties of N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide?
N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yl-6-ethylphenyl)-N-methyl-1,3-dioxoisoindole-4-carboxamide is sourced from PubChem (CID 70494208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).