2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide

C16H20N2O4 — CID 71810472

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide
SMILESCOC(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1C
InChIInChI=1S/C16H20N2O4/c1-11-5-3-4-6-12(11)13(22-2)9-17-14(19)10-18-15(20)7-8-16(18)21/h3-6,13H,7-10H2,1-2H3,(H,17,19)
InChIKeyZLNXOGUCVRPYAH-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.95
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide (PubChem CID 71810472) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide
PubChem CID71810472
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide
SMILESCOC(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1C
InChIInChI=1S/C16H20N2O4/c1-11-5-3-4-6-12(11)13(22-2)9-17-14(19)10-18-15(20)7-8-16(18)21/h3-6,13H,7-10H2,1-2H3,(H,17,19)
InChIKeyZLNXOGUCVRPYAH-UHFFFAOYSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide (CID 71810472) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide is COC(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1C.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is ZLNXOGUCVRPYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-5-3-4-6-12(11)13(22-2)9-17-14(19)10-18-15(20)7-8-16(18)21/h3-6,13H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 304.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 71810472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).