2-(3-acetylphenoxy)-1-morpholin-4-ylethanone

C14H17NO4 — CID 685737

IUPAC2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H17NO4/c1-11(16)12-3-2-4-13(9-12)19-10-14(17)15-5-7-18-8-6-15/h2-4,9H,5-8,10H2,1H3
InChIKeyLWIPOAGPSACISD-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.13
Rot. Bonds4

About 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone

2-(3-acetylphenoxy)-1-morpholin-4-ylethanone (PubChem CID 685737) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
PubChem CID685737
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H17NO4/c1-11(16)12-3-2-4-13(9-12)19-10-14(17)15-5-7-18-8-6-15/h2-4,9H,5-8,10H2,1H3
InChIKeyLWIPOAGPSACISD-UHFFFAOYSA-N
XLogP1.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714
2-(3-acetylphenoxy)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 9298679
2-(3-acetylphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119486393
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120815322
2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 91027875
2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168537523
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate
CID 98010789
2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile
CID 78952730
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone (CID 685737) is 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone is CC(=O)c1cccc(OCC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is LWIPOAGPSACISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-11(16)12-3-2-4-13(9-12)19-10-14(17)15-5-7-18-8-6-15/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone?
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 263.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 685737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).