3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one

C20H30NO6PSi — CID 22349229

IUPAC3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one
SMILESCCOP(=O)(OCC)c1ccc(-c2cc(N)cc(OCCC(=O)[Si](C)(C)C)c2)o1
InChIInChI=1S/C20H30NO6PSi/c1-6-25-28(23,26-7-2)20-9-8-18(27-20)15-12-16(21)14-17(13-15)24-11-10-19(22)29(3,4)5/h8-9,12-14H,6-7,10-11,21H2,1-5H3
InChIKeyZCUUOCYWEGCWJZ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.64
Rot. Bonds11

About 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one

3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one (PubChem CID 22349229) has the molecular formula C20H30NO6PSi and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one.

Molecular Properties

Compound Name3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one
PubChem CID22349229
Molecular FormulaC20H30NO6PSi
Molecular Weight439.52 g/mol
Exact Mass439.16
IUPAC Name3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one
SMILESCCOP(=O)(OCC)c1ccc(-c2cc(N)cc(OCCC(=O)[Si](C)(C)C)c2)o1
InChIInChI=1S/C20H30NO6PSi/c1-6-25-28(23,26-7-2)20-9-8-18(27-20)15-12-16(21)14-17(13-15)24-11-10-19(22)29(3,4)5/h8-9,12-14H,6-7,10-11,21H2,1-5H3
InChIKeyZCUUOCYWEGCWJZ-UHFFFAOYSA-N
XLogP4.64
TPSA100.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-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

3-(2,2-Difluoroethoxy)-5-(5-methylfuran-2-yl)aniline
CID 178243920
3-(5-Methylfuran-2-yl)-5-(2,2,2-trifluoroethoxy)aniline
CID 178243921
3-(5-Methylfuran-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)aniline
CID 178243922
3-(5-Methylfuran-2-yl)-5-(trifluoromethoxy)aniline
CID 178373712
Diethyl 5-(3-aminophenyl)-2-furanphosphonate
CID 22349231
3-[3-(5-Diethoxyphosphorylfuran-2-yl)-5-nitrophenoxy]-1-trimethylsilylpropan-1-one
CID 22349240
1-[3-amino-5-[(E)-4-diethoxyphosphorylbut-2-enoxy]phenyl]ethanone
CID 58600644
1-[3-Amino-5-(4-diethoxyphosphorylbut-2-enoxy)phenyl]ethanone
CID 76835097
1-(3-Amino-5-phenylmethoxyphenyl)propan-1-one
CID 174330625
2-Phenylethyl 3-amino-5-ethoxybenzoate
CID 81094116
3-(Oxolan-2-yl)propyl 3-amino-5-ethoxybenzoate
CID 81095161
3-Methoxy-5-(5-methylfuran-2-yl)aniline
CID 178243913

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one?
The IUPAC name of 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one (CID 22349229) is 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one.
What is the SMILES notation for 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one?
The canonical SMILES for 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one is CCOP(=O)(OCC)c1ccc(-c2cc(N)cc(OCCC(=O)[Si](C)(C)C)c2)o1.
What is the InChIKey of 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one?
The InChIKey is ZCUUOCYWEGCWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30NO6PSi/c1-6-25-28(23,26-7-2)20-9-8-18(27-20)15-12-16(21)14-17(13-15)24-11-10-19(22)29(3,4)5/h8-9,12-14H,6-7,10-11,21H2,1-5H3.
What are the key properties of 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one?
3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one has a molecular weight of 439.52 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-5-(5-diethoxyphosphorylfuran-2-yl)phenoxy]-1-trimethylsilylpropan-1-one is sourced from PubChem (CID 22349229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).