4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione

C13H15NO4 — CID 55237705

IUPAC4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione
SMILESCOc1ccc(CCN2CC(=O)OC(=O)C2)cc1
InChIInChI=1S/C13H15NO4/c1-17-11-4-2-10(3-5-11)6-7-14-8-12(15)18-13(16)9-14/h2-5H,6-9H2,1H3
InChIKeyBSXWSHHWTNEUIY-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.62
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione

4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione (PubChem CID 55237705) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione
PubChem CID55237705
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione
SMILESCOc1ccc(CCN2CC(=O)OC(=O)C2)cc1
InChIInChI=1S/C13H15NO4/c1-17-11-4-2-10(3-5-11)6-7-14-8-12(15)18-13(16)9-14/h2-5H,6-9H2,1H3
InChIKeyBSXWSHHWTNEUIY-UHFFFAOYSA-N
XLogP0.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
8-[2-(4-methoxyphenyl)ethyl]-8-aza-5-azoniaspiro[4.5]decane bromide
CID 24758718
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazinan-2-one
CID 101496392
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103576951
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 118666758
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione (CID 55237705) is 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione is COc1ccc(CCN2CC(=O)OC(=O)C2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione?
The InChIKey is BSXWSHHWTNEUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-11-4-2-10(3-5-11)6-7-14-8-12(15)18-13(16)9-14/h2-5H,6-9H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione?
4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione is sourced from PubChem (CID 55237705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).