1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one

C15H25NO4Si — CID 156782996

IUPAC1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
SMILESCO[Si](CCCNCCC(=O)c1ccccc1)(OC)OC
InChIInChI=1S/C15H25NO4Si/c1-18-21(19-2,20-3)13-7-11-16-12-10-15(17)14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3
InChIKeyWYNGSXIYPSAWFZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.12
Rot. Bonds11

About 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one

1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one (PubChem CID 156782996) has the molecular formula C15H25NO4Si and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
PubChem CID156782996
Molecular FormulaC15H25NO4Si
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
SMILESCO[Si](CCCNCCC(=O)c1ccccc1)(OC)OC
InChIInChI=1S/C15H25NO4Si/c1-18-21(19-2,20-3)13-7-11-16-12-10-15(17)14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3
InChIKeyWYNGSXIYPSAWFZ-UHFFFAOYSA-N
XLogP2.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone
CID 176549486
4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
3-(2-chloroethylamino)-1-phenylpropan-1-one
CID 2047021
3-(5-trimethoxysilylpentylamino)propanoic acid
CID 150405129
1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione
CID 67533346
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
ethane;3-(methylamino)-1-phenylpropan-1-one
CID 91239900
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
1-methyl-3-(3-oxo-3-phenylpropyl)urea
CID 91603389
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
trimethoxy(3-phenylbut-3-enyl)silane
CID 66830761
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one?
The IUPAC name of 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one (CID 156782996) is 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one?
The canonical SMILES for 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one is CO[Si](CCCNCCC(=O)c1ccccc1)(OC)OC.
What is the InChIKey of 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one?
The InChIKey is WYNGSXIYPSAWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4Si/c1-18-21(19-2,20-3)13-7-11-16-12-10-15(17)14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3.
What are the key properties of 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one?
1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one has a molecular weight of 311.45 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one is sourced from PubChem (CID 156782996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).