2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one

C26H39NO3Si2 — CID 164713973

IUPAC2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one
SMILESCCC(Cc1ccccc1)(O[Si](C)(C)[Si](C)(C)C)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H39NO3Si2/c1-7-26(21-22-11-9-8-10-12-22,30-32(5,6)31(2,3)4)25(28)23-13-15-24(16-14-23)27-17-19-29-20-18-27/h8-16H,7,17-21H2,1-6H3
InChIKeyNCXYXGVBXJRJKM-UHFFFAOYSA-N
MW469.77 g/mol
LogP5.74
Rot. Bonds9

About 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one

2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one (PubChem CID 164713973) has the molecular formula C26H39NO3Si2 and a molecular weight of 469.77 g/mol. Its IUPAC name is 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one.

Molecular Properties

Compound Name2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one
PubChem CID164713973
Molecular FormulaC26H39NO3Si2
Molecular Weight469.77 g/mol
Exact Mass469.25
IUPAC Name2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one
SMILESCCC(Cc1ccccc1)(O[Si](C)(C)[Si](C)(C)C)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H39NO3Si2/c1-7-26(21-22-11-9-8-10-12-22,30-32(5,6)31(2,3)4)25(28)23-13-15-24(16-14-23)27-17-19-29-20-18-27/h8-16H,7,17-21H2,1-6H3
InChIKeyNCXYXGVBXJRJKM-UHFFFAOYSA-N
XLogP5.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.77
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-benzyl-1-(4-morpholin-4-ylphenyl)-1-oxobutan-2-yl]-dimethylazanium
CID 6966491
2-benzyl-2-methoxy-1-(4-piperazin-1-ylphenyl)butan-1-one
CID 142633495
2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one
CID 174831575
2-amino-4,4-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57126058
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 161064034
2-benzyl-2-(dimethylamino)-3-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 152691568
[benzyl(dimethyl)stannyl]-(4-morpholin-4-ylphenyl)methanone
CID 174435606
4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 68890716
2,2-dimethoxy-1,2-diphenylethanone;2-(dimethylamino)-2-ethyl-1-(4-morpholin-4-ylphenyl)-3-phenylpropane-1,3-dione
CID 158864367
2-(dimethylamino)-1-[4-[(4-morpholin-4-ylphenyl)methyl]phenyl]-2,5-diphenylpentan-1-one
CID 174755377
2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 174935005
3-[cyclopenta-2,4-dien-1-ylidene-(4-morpholin-4-ylphenyl)methyl]-N,N-dimethyl-1-phenylpentan-3-amine
CID 25166769

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one?
The IUPAC name of 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one (CID 164713973) is 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one.
What is the SMILES notation for 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one?
The canonical SMILES for 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one is CCC(Cc1ccccc1)(O[Si](C)(C)[Si](C)(C)C)C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one?
The InChIKey is NCXYXGVBXJRJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO3Si2/c1-7-26(21-22-11-9-8-10-12-22,30-32(5,6)31(2,3)4)25(28)23-13-15-24(16-14-23)27-17-19-29-20-18-27/h8-16H,7,17-21H2,1-6H3.
What are the key properties of 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one?
2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one has a molecular weight of 469.77 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one is sourced from PubChem (CID 164713973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).