2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone

C20H23NO4 — CID 121134803

IUPAC2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCOC(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H23NO4/c1-15-6-8-16(9-7-15)19-13-21(10-11-24-19)20(22)14-25-18-5-3-4-17(12-18)23-2/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyMAWTVMANTFMHIO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.98
Rot. Bonds5

About 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone

2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone (PubChem CID 121134803) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
PubChem CID121134803
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCOC(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H23NO4/c1-15-6-8-16(9-7-15)19-13-21(10-11-24-19)20(22)14-25-18-5-3-4-17(12-18)23-2/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyMAWTVMANTFMHIO-UHFFFAOYSA-N
XLogP2.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134838
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 110364025
2-(3-methylphenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851152
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 31414964
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136547163
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone (CID 121134803) is 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone is COc1cccc(OCC(=O)N2CCOC(c3ccc(C)cc3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone?
The InChIKey is MAWTVMANTFMHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-6-8-16(9-7-15)19-13-21(10-11-24-19)20(22)14-25-18-5-3-4-17(12-18)23-2/h3-9,12,19H,10-11,13-14H2,1-2H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone?
2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 121134803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).