[2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate

C24H25F2NO6 — CID 3859574

IUPAC[2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate
SMILESCCC(=O)c1cc(F)c(OCC2CN(C(=O)C(OC(C)=O)c3ccccc3)CCO2)c(F)c1
InChIInChI=1S/C24H25F2NO6/c1-3-21(29)17-11-19(25)23(20(26)12-17)32-14-18-13-27(9-10-31-18)24(30)22(33-15(2)28)16-7-5-4-6-8-16/h4-8,11-12,18,22H,3,9-10,13-14H2,1-2H3
InChIKeyIIEIIDXQJOOZOW-UHFFFAOYSA-N
MW461.46 g/mol
LogP3.47
Rot. Bonds8

About [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate

[2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate (PubChem CID 3859574) has the molecular formula C24H25F2NO6 and a molecular weight of 461.46 g/mol. Its IUPAC name is [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate
PubChem CID3859574
Molecular FormulaC24H25F2NO6
Molecular Weight461.46 g/mol
Exact Mass461.16
IUPAC Name[2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate
SMILESCCC(=O)c1cc(F)c(OCC2CN(C(=O)C(OC(C)=O)c3ccccc3)CCO2)c(F)c1
InChIInChI=1S/C24H25F2NO6/c1-3-21(29)17-11-19(25)23(20(26)12-17)32-14-18-13-27(9-10-31-18)24(30)22(33-15(2)28)16-7-5-4-6-8-16/h4-8,11-12,18,22H,3,9-10,13-14H2,1-2H3
InChIKeyIIEIIDXQJOOZOW-UHFFFAOYSA-N
XLogP3.47
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate with MolForge

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Related Compounds

1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 3272665
1-[4-[[4-(1-benzoylpiperidine-4-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 3747627
1-[4-[[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 23964317
1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 3768137
1-[3,5-difluoro-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 74226394
1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 74228421
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
CID 125119092
[(2R)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
CID 74226383
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7705762
[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
CID 74224503

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate (CID 3859574) is [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate is CCC(=O)c1cc(F)c(OCC2CN(C(=O)C(OC(C)=O)c3ccccc3)CCO2)c(F)c1.
What is the InChIKey of [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate?
The InChIKey is IIEIIDXQJOOZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO6/c1-3-21(29)17-11-19(25)23(20(26)12-17)32-14-18-13-27(9-10-31-18)24(30)22(33-15(2)28)16-7-5-4-6-8-16/h4-8,11-12,18,22H,3,9-10,13-14H2,1-2H3.
What are the key properties of [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate?
[2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate has a molecular weight of 461.46 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 3859574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).