1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione

C20H25NO5Si — CID 67533346

IUPAC1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione
SMILESCO[Si](CCCNc1ccccc1C(=O)C(=O)c1ccccc1)(OC)OC
InChIInChI=1S/C20H25NO5Si/c1-24-27(25-2,26-3)15-9-14-21-18-13-8-7-12-17(18)20(23)19(22)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
InChIKeyTUZZBEDLMIOWFP-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.43
Rot. Bonds11

About 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione

1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione (PubChem CID 67533346) has the molecular formula C20H25NO5Si and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione
PubChem CID67533346
Molecular FormulaC20H25NO5Si
Molecular Weight387.51 g/mol
Exact Mass387.15
IUPAC Name1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione
SMILESCO[Si](CCCNc1ccccc1C(=O)C(=O)c1ccccc1)(OC)OC
InChIInChI=1S/C20H25NO5Si/c1-24-27(25-2,26-3)15-9-14-21-18-13-8-7-12-17(18)20(23)19(22)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
InChIKeyTUZZBEDLMIOWFP-UHFFFAOYSA-N
XLogP3.43
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
CID 19877439
1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
CID 156782996
4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793
2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
CID 174032259
CID 165388786
CID 165388786
phenyl-[3-[(3-trimethoxysilylpropylamino)methyl]phenyl]methanone
CID 176549486
2-(tetradecylamino)benzoic acid
CID 15090293
3-(2-methoxycarbonylanilino)propanoic acid
CID 15046919
2-oxo-2-[2-(3-sulfopropylamino)phenyl]acetic acid
CID 87881552
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione?
The IUPAC name of 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione (CID 67533346) is 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione.
What is the SMILES notation for 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione?
The canonical SMILES for 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione is CO[Si](CCCNc1ccccc1C(=O)C(=O)c1ccccc1)(OC)OC.
What is the InChIKey of 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione?
The InChIKey is TUZZBEDLMIOWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5Si/c1-24-27(25-2,26-3)15-9-14-21-18-13-8-7-12-17(18)20(23)19(22)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3.
What are the key properties of 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione?
1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione has a molecular weight of 387.51 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione is sourced from PubChem (CID 67533346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).