N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

C14H18N2O3 — CID 4264255

IUPACN-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O3/c1-10-5-6-12(19-2)11(9-10)15-13(17)14(18)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyBYBSIIMIZTXOTQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds2

About N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 4264255) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID4264255
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O3/c1-10-5-6-12(19-2)11(9-10)15-13(17)14(18)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyBYBSIIMIZTXOTQ-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.56
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-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 4264255) is N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is COc1ccc(C)cc1NC(=O)C(=O)N1CCCC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is BYBSIIMIZTXOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-5-6-12(19-2)11(9-10)15-13(17)14(18)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 4264255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).