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

C14H18N2O3 — CID 156866709

IUPACN-(2,6-dioxopiperidin-3-yl)benzamide;ethane
SMILESCC.O=C1CCC(NC(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C12H12N2O3.C2H6/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8;1-2/h1-5,9H,6-7H2,(H,13,16)(H,14,15,17);1-2H3
InChIKeyBYJMIHPAGSPHCA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.25
Rot. Bonds2

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

N-(2,6-dioxopiperidin-3-yl)benzamide;ethane (PubChem CID 156866709) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)benzamide;ethane.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)benzamide;ethane
PubChem CID156866709
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2,6-dioxopiperidin-3-yl)benzamide;ethane
SMILESCC.O=C1CCC(NC(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C12H12N2O3.C2H6/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8;1-2/h1-5,9H,6-7H2,(H,13,16)(H,14,15,17);1-2H3
InChIKeyBYJMIHPAGSPHCA-UHFFFAOYSA-N
XLogP1.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
N-(2,6-dioxopiperidin-3-yl)-4-propylbenzamide
CID 168945690
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide
CID 146124036
N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide
CID 10378768
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)benzamide;ethane?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)benzamide;ethane (CID 156866709) is N-(2,6-dioxopiperidin-3-yl)benzamide;ethane.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)benzamide;ethane?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)benzamide;ethane is CC.O=C1CCC(NC(=O)c2ccccc2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)benzamide;ethane?
The InChIKey is BYJMIHPAGSPHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.C2H6/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8;1-2/h1-5,9H,6-7H2,(H,13,16)(H,14,15,17);1-2H3.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)benzamide;ethane?
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane has a molecular weight of 262.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)benzamide;ethane is sourced from PubChem (CID 156866709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).