N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide

C15H20N2O3 — CID 2213446

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-20-13-6-4-12(5-7-13)8-9-16-14(18)15(19)17-10-2-3-11-17/h4-7H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyBMFJCKDTYKKGEO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 2213446) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID2213446
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-20-13-6-4-12(5-7-13)8-9-16-14(18)15(19)17-10-2-3-11-17/h4-7H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyBMFJCKDTYKKGEO-UHFFFAOYSA-N
XLogP0.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 2213446) is N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide is COc1ccc(CCNC(=O)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is BMFJCKDTYKKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-13-6-4-12(5-7-13)8-9-16-14(18)15(19)17-10-2-3-11-17/h4-7H,2-3,8-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 276.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2213446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).