3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one

C21H25NO3 — CID 110364528

IUPAC3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCOC(c3ccccc3C)C2)c1
InChIInChI=1S/C21H25NO3/c1-16-6-3-4-9-19(16)20-15-22(12-13-25-20)21(23)11-10-17-7-5-8-18(14-17)24-2/h3-9,14,20H,10-13,15H2,1-2H3
InChIKeySHUZLSJHMURJFF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one

3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one (PubChem CID 110364528) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
PubChem CID110364528
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCOC(c3ccccc3C)C2)c1
InChIInChI=1S/C21H25NO3/c1-16-6-3-4-9-19(16)20-15-22(12-13-25-20)21(23)11-10-17-7-5-8-18(14-17)24-2/h3-9,14,20H,10-13,15H2,1-2H3
InChIKeySHUZLSJHMURJFF-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

N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481843
1-(6-hydroxy-1,4-oxazepan-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 70713084
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364507
3-methoxy-N-[2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109480994
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 47914001
2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364487
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739650
1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110721211
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one (CID 110364528) is 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one is COc1cccc(CCC(=O)N2CCOC(c3ccccc3C)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
The InChIKey is SHUZLSJHMURJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-6-3-4-9-19(16)20-15-22(12-13-25-20)21(23)11-10-17-7-5-8-18(14-17)24-2/h3-9,14,20H,10-13,15H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one?
3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one 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 3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110364528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).