N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide

C16H16N2O6 — CID 145256134

IUPACN-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
SMILESCc1cccc(OCC=O)c1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C16H16N2O6/c1-10-3-2-4-12(24-8-7-19)14(10)16(23)18(9-20)11-5-6-13(21)17-15(11)22/h2-4,7,9,11H,5-6,8H2,1H3,(H,17,21,22)
InChIKeyYDRACWYNHQEVCM-UHFFFAOYSA-N
MW332.31 g/mol
LogP-0.02
Rot. Bonds6

About N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide (PubChem CID 145256134) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
PubChem CID145256134
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
SMILESCc1cccc(OCC=O)c1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C16H16N2O6/c1-10-3-2-4-12(24-8-7-19)14(10)16(23)18(9-20)11-5-6-13(21)17-15(11)22/h2-4,7,9,11H,5-6,8H2,1H3,(H,17,21,22)
InChIKeyYDRACWYNHQEVCM-UHFFFAOYSA-N
XLogP-0.02
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide
CID 167470181
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-2,3-dimethylbenzamide;ethane
CID 163374446
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)-3-fluoro-N-formyl-2-methylbenzamide
CID 154690274
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,4-dimethylbenzamide;ethane
CID 170953386
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 145229590
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
2-(4-aminobutoxy)-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methylbenzamide;propane
CID 145229559
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[[4-[[4-(trifluoromethylsulfanyl)piperazin-1-yl]methyl]phenyl]methoxy]benzamide
CID 130312159

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide (CID 145256134) is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide is Cc1cccc(OCC=O)c1C(=O)N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide?
The InChIKey is YDRACWYNHQEVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-10-3-2-4-12(24-8-7-19)14(10)16(23)18(9-20)11-5-6-13(21)17-15(11)22/h2-4,7,9,11H,5-6,8H2,1H3,(H,17,21,22).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide?
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide has a molecular weight of 332.31 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide is sourced from PubChem (CID 145256134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).