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

C21H25NO3 — CID 110364487

IUPAC2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCOC(c3ccccc3C)C2)cc1
InChIInChI=1S/C21H25NO3/c1-3-24-18-10-8-17(9-11-18)14-21(23)22-12-13-25-20(15-22)19-7-5-4-6-16(19)2/h4-11,20H,3,12-15H2,1-2H3
InChIKeyZWALUOFNBDFEOG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds5

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

2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone (PubChem CID 110364487) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
PubChem CID110364487
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCOC(c3ccccc3C)C2)cc1
InChIInChI=1S/C21H25NO3/c1-3-24-18-10-8-17(9-11-18)14-21(23)22-12-13-25-20(15-22)19-7-5-4-6-16(19)2/h4-11,20H,3,12-15H2,1-2H3
InChIKeyZWALUOFNBDFEOG-UHFFFAOYSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone
CID 121134501
2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364507
3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 126789841
3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 110364528
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone
CID 110746558
2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696262
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 90584859
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
CID 110293051
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone (CID 110364487) is 2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone is CCOc1ccc(CC(=O)N2CCOC(c3ccccc3C)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone?
The InChIKey is ZWALUOFNBDFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-24-18-10-8-17(9-11-18)14-21(23)22-12-13-25-20(15-22)19-7-5-4-6-16(19)2/h4-11,20H,3,12-15H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone?
2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110364487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).