phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone

C20H27NO4Si — CID 176549486

IUPACphenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone
SMILESCO[Si](CCCNCc1cccc(C(=O)c2ccccc2)c1)(OC)OC
InChIInChI=1S/C20H27NO4Si/c1-23-26(24-2,25-3)14-8-13-21-16-17-9-7-12-19(15-17)20(22)18-10-5-4-6-11-18/h4-7,9-12,15,21H,8,13-14,16H2,1-3H3
InChIKeyAAAGLMHSWOUYFW-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.28
Rot. Bonds11

About phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone

phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone (PubChem CID 176549486) has the molecular formula C20H27NO4Si and a molecular weight of 373.53 g/mol. Its IUPAC name is phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone
PubChem CID176549486
Molecular FormulaC20H27NO4Si
Molecular Weight373.53 g/mol
Exact Mass373.17
IUPAC Namephenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone
SMILESCO[Si](CCCNCc1cccc(C(=O)c2ccccc2)c1)(OC)OC
InChIInChI=1S/C20H27NO4Si/c1-23-26(24-2,25-3)14-8-13-21-16-17-9-7-12-19(15-17)20(22)18-10-5-4-6-11-18/h4-7,9-12,15,21H,8,13-14,16H2,1-3H3
InChIKeyAAAGLMHSWOUYFW-UHFFFAOYSA-N
XLogP3.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.28
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

1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
CID 156782996
4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone
CID 155133296
N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
CID 142242535
N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane
CID 173093441
3-[[3-(2-phenylethoxy)propylamino]methyl]benzoic acid
CID 122030496
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
3-[[3-(4-bromo-2-methoxyphenyl)propylamino]methyl]benzoic acid
CID 122032780
1,2-diphenylethanone;diphenylmethanone
CID 141067729
[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
3-[[3-(2,3-dimethylphenoxy)propylamino]methyl]benzoic acid
CID 122033632

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone?
The IUPAC name of phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone (CID 176549486) is phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone.
What is the SMILES notation for phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone?
The canonical SMILES for phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone is CO[Si](CCCNCc1cccc(C(=O)c2ccccc2)c1)(OC)OC.
What is the InChIKey of phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone?
The InChIKey is AAAGLMHSWOUYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4Si/c1-23-26(24-2,25-3)14-8-13-21-16-17-9-7-12-19(15-17)20(22)18-10-5-4-6-11-18/h4-7,9-12,15,21H,8,13-14,16H2,1-3H3.
What are the key properties of phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone?
phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone has a molecular weight of 373.53 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone is sourced from PubChem (CID 176549486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).