1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one

C15H21NO4 — CID 46059317

IUPAC1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCOC(COc2cccc(OC)c2)C1
InChIInChI=1S/C15H21NO4/c1-3-15(17)16-7-8-19-14(10-16)11-20-13-6-4-5-12(9-13)18-2/h4-6,9,14H,3,7-8,10-11H2,1-2H3
InChIKeyHSTGUMWQSYGQFJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.71
Rot. Bonds5

About 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one

1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one (PubChem CID 46059317) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
PubChem CID46059317
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCOC(COc2cccc(OC)c2)C1
InChIInChI=1S/C15H21NO4/c1-3-15(17)16-7-8-19-14(10-16)11-20-13-6-4-5-12(9-13)18-2/h4-6,9,14H,3,7-8,10-11H2,1-2H3
InChIKeyHSTGUMWQSYGQFJ-UHFFFAOYSA-N
XLogP1.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one
CID 10110762
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
CID 46059378
2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134803
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
(3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 92761333
2-(2-hydroxyphenoxy)-1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 56864991

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one (CID 46059317) is 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one is CCC(=O)N1CCOC(COc2cccc(OC)c2)C1.
What is the InChIKey of 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one?
The InChIKey is HSTGUMWQSYGQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-15(17)16-7-8-19-14(10-16)11-20-13-6-4-5-12(9-13)18-2/h4-6,9,14H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one?
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one has a molecular weight of 279.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 46059317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).