3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one

C21H25NO3 — CID 47914001

IUPAC3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CC(C)OC(c3ccccc3)C2)c1
InChIInChI=1S/C21H25NO3/c1-16-14-22(15-20(25-16)18-8-4-3-5-9-18)21(23)12-11-17-7-6-10-19(13-17)24-2/h3-10,13,16,20H,11-12,14-15H2,1-2H3
InChIKeyODUYFQQAOFSSDP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.62
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one

3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one (PubChem CID 47914001) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
PubChem CID47914001
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CC(C)OC(c3ccccc3)C2)c1
InChIInChI=1S/C21H25NO3/c1-16-14-22(15-20(25-16)18-8-4-3-5-9-18)21(23)12-11-17-7-6-10-19(13-17)24-2/h3-10,13,16,20H,11-12,14-15H2,1-2H3
InChIKeyODUYFQQAOFSSDP-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one
CID 47914931
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110706988
3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 110364528
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
1-(2-methyl-6-phenylmorpholin-4-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 47914947
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-1-one
CID 95590971
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 146086488
1-(6-hydroxy-1,4-oxazepan-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 70713084
(3S,4R)-4-(3-methoxyphenyl)-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 70788176

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one (CID 47914001) is 3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one is COc1cccc(CCC(=O)N2CC(C)OC(c3ccccc3)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one?
The InChIKey is ODUYFQQAOFSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-14-22(15-20(25-16)18-8-4-3-5-9-18)21(23)12-11-17-7-6-10-19(13-17)24-2/h3-10,13,16,20H,11-12,14-15H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one?
3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.62, 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-methyl-6-phenylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 47914001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).