5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one

C14H20N2O3 — CID 60727737

IUPAC5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
SMILESCOc1ccc(OCCNCC2CCC(=O)N2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-12-3-5-13(6-4-12)19-9-8-15-10-11-2-7-14(17)16-11/h3-6,11,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyKNUGKRFQJFCOAK-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.94
Rot. Bonds7

About 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one

5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 60727737) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
PubChem CID60727737
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
SMILESCOc1ccc(OCCNCC2CCC(=O)N2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-12-3-5-13(6-4-12)19-9-8-15-10-11-2-7-14(17)16-11/h3-6,11,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyKNUGKRFQJFCOAK-UHFFFAOYSA-N
XLogP0.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727440
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 107529441
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
CID 107529437
5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one
CID 106401472
5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727360
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one (CID 60727737) is 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one is COc1ccc(OCCNCC2CCC(=O)N2)cc1.
What is the InChIKey of 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is KNUGKRFQJFCOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-3-5-13(6-4-12)19-9-8-15-10-11-2-7-14(17)16-11/h3-6,11,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one?
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 60727737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).