1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one

C21H25F2NO4 — CID 74228421

IUPAC1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(OCC2CN(Cc3cc(C)c(C)o3)CCO2)c(F)c1
InChIInChI=1S/C21H25F2NO4/c1-4-20(25)15-8-18(22)21(19(23)9-15)27-12-17-11-24(5-6-26-17)10-16-7-13(2)14(3)28-16/h7-9,17H,4-6,10-12H2,1-3H3
InChIKeyRBZSVZJMFXIEOD-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.05
Rot. Bonds7

About 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one

1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one (PubChem CID 74228421) has the molecular formula C21H25F2NO4 and a molecular weight of 393.43 g/mol. Its IUPAC name is 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
PubChem CID74228421
Molecular FormulaC21H25F2NO4
Molecular Weight393.43 g/mol
Exact Mass393.18
IUPAC Name1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
SMILESCCC(=O)c1cc(F)c(OCC2CN(Cc3cc(C)c(C)o3)CCO2)c(F)c1
InChIInChI=1S/C21H25F2NO4/c1-4-20(25)15-8-18(22)21(19(23)9-15)27-12-17-11-24(5-6-26-17)10-16-7-13(2)14(3)28-16/h7-9,17H,4-6,10-12H2,1-3H3
InChIKeyRBZSVZJMFXIEOD-UHFFFAOYSA-N
XLogP4.05
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-difluoro-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 74226394
1-[4-[[4-(2,2-diphenylacetyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 3272665
[2-[2-[(2,6-difluoro-4-propanoylphenoxy)methyl]morpholin-4-yl]-2-oxo-1-phenylethyl] acetate
CID 3859574
1-[4-[[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 23964317
1-[4-[[4-(1-benzoylpiperidine-4-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 3747627
1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 3768137
5-[(2-ethylmorpholin-4-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621103
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 74224273
ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
CID 99979464
ethyl 2-[(2S)-2-[(3,5-dimethylphenoxy)methyl]morpholin-4-yl]acetate
CID 99979655
(4-ethylmorpholin-2-yl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 79171638

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one?
The IUPAC name of 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one (CID 74228421) is 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one?
The canonical SMILES for 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one is CCC(=O)c1cc(F)c(OCC2CN(Cc3cc(C)c(C)o3)CCO2)c(F)c1.
What is the InChIKey of 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one?
The InChIKey is RBZSVZJMFXIEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO4/c1-4-20(25)15-8-18(22)21(19(23)9-15)27-12-17-11-24(5-6-26-17)10-16-7-13(2)14(3)28-16/h7-9,17H,4-6,10-12H2,1-3H3.
What are the key properties of 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one?
1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one has a molecular weight of 393.43 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(4,5-dimethylfuran-2-yl)methyl]morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one is sourced from PubChem (CID 74228421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).