1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone

C15H21NO4 — CID 86981388

IUPAC1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C15H21NO4/c1-15(2)11-16(8-9-20-15)14(17)10-19-13-7-5-4-6-12(13)18-3/h4-7H,8-11H2,1-3H3
InChIKeyYGYLVRNWSUJXPX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.71
Rot. Bonds4

About 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone

1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone (PubChem CID 86981388) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone
PubChem CID86981388
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C15H21NO4/c1-15(2)11-16(8-9-20-15)14(17)10-19-13-7-5-4-6-12(13)18-3/h4-7H,8-11H2,1-3H3
InChIKeyYGYLVRNWSUJXPX-UHFFFAOYSA-N
XLogP1.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile
CID 35026256
1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 97026017
2-[2-[2-oxo-2-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethoxy]phenoxy]-1-(4,4,8,8-tetramethyl-2-oxo-1,3,6,2-dioxazaphosphocan-2-ium-6-yl)ethanone
CID 15832283
2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
(1S,5R)-3-[2-(2-methoxyphenoxy)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135113397
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 31414964
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyphenoxy)ethanone
CID 82038149
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone (CID 86981388) is 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone?
The InChIKey is YGYLVRNWSUJXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2)11-16(8-9-20-15)14(17)10-19-13-7-5-4-6-12(13)18-3/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone?
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone has a molecular weight of 279.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 86981388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).