N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane

C17H22N2O4 — CID 163374446

IUPACN-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
SMILESCC.Cc1cccc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C
InChIInChI=1S/C15H16N2O4.C2H6/c1-9-4-3-5-11(10(9)2)15(21)17(8-18)12-6-7-13(19)16-14(12)20;1-2/h3-5,8,12H,6-7H2,1-2H3,(H,16,19,20);1-2H3
InChIKeyAAQOCDPLKROQNU-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.73
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane (PubChem CID 163374446) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
PubChem CID163374446
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
SMILESCC.Cc1cccc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C
InChIInChI=1S/C15H16N2O4.C2H6/c1-9-4-3-5-11(10(9)2)15(21)17(8-18)12-6-7-13(19)16-14(12)20;1-2/h3-5,8,12H,6-7H2,1-2H3,(H,16,19,20);1-2H3
InChIKeyAAQOCDPLKROQNU-UHFFFAOYSA-N
XLogP1.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
CID 154690274
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,4-dimethylbenzamide;ethane
CID 170953386
3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170384418
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
CID 145256134
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 145229590
2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide
CID 145381944
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide
CID 168946490
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
CID 155358156
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-propan-2-ylbenzamide;N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-6-propan-2-ylphenyl)methyl]formamide
CID 162438893
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[[4-[[4-(trifluoromethylsulfanyl)piperazin-1-yl]methyl]phenyl]methoxy]benzamide
CID 130312159
3-[[(2E,4E)-6-(azocan-1-yl)-2-ethenyl-5-methylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170003163
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 155358236

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane (CID 163374446) is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane is CC.Cc1cccc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane?
The InChIKey is AAQOCDPLKROQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4.C2H6/c1-9-4-3-5-11(10(9)2)15(21)17(8-18)12-6-7-13(19)16-14(12)20;1-2/h3-5,8,12H,6-7H2,1-2H3,(H,16,19,20);1-2H3.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane?
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane has a molecular weight of 318.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane is sourced from PubChem (CID 163374446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).