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'}

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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).