N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide

C15H18N2O4 — CID 171788521

IUPACN-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide
SMILESCCc1cc(OC)ccc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C15H18N2O4/c1-3-9-8-10(21-2)4-5-11(9)14(19)16-12-6-7-13(18)17-15(12)20/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyFYVHREQDINXVCE-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.79
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide

N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide (PubChem CID 171788521) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide
PubChem CID171788521
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide
SMILESCCc1cc(OC)ccc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C15H18N2O4/c1-3-9-8-10(21-2)4-5-11(9)14(19)16-12-6-7-13(18)17-15(12)20/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyFYVHREQDINXVCE-UHFFFAOYSA-N
XLogP0.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide (CID 171788521) is N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide is CCc1cc(OC)ccc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide?
The InChIKey is FYVHREQDINXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-9-8-10(21-2)4-5-11(9)14(19)16-12-6-7-13(18)17-15(12)20/h4-5,8,12H,3,6-7H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide?
N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide has a molecular weight of 290.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-ethyl-4-methoxybenzamide is sourced from PubChem (CID 171788521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).