4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide

C16H27N3O4Si — CID 123877140

IUPAC4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide
SMILESCO[Si](CCCNC(=O)c1ccc(/N=N/C(C)C)cc1)(OC)OC
InChIInChI=1S/C16H27N3O4Si/c1-13(2)18-19-15-9-7-14(8-10-15)16(20)17-11-6-12-24(21-3,22-4)23-5/h7-10,13H,6,11-12H2,1-5H3,(H,17,20)/b19-18+
InChIKeyNIHPTPZGXLFZCS-VHEBQXMUSA-N
MW353.50 g/mol
LogP3.18
Rot. Bonds10

About 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide

4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide (PubChem CID 123877140) has the molecular formula C16H27N3O4Si and a molecular weight of 353.50 g/mol. Its IUPAC name is 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide.

Molecular Properties

Compound Name4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide
PubChem CID123877140
Molecular FormulaC16H27N3O4Si
Molecular Weight353.50 g/mol
Exact Mass353.18
IUPAC Name4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide
SMILESCO[Si](CCCNC(=O)c1ccc(/N=N/C(C)C)cc1)(OC)OC
InChIInChI=1S/C16H27N3O4Si/c1-13(2)18-19-15-9-7-14(8-10-15)16(20)17-11-6-12-24(21-3,22-4)23-5/h7-10,13H,6,11-12H2,1-5H3,(H,17,20)/b19-18+
InChIKeyNIHPTPZGXLFZCS-VHEBQXMUSA-N
XLogP3.18
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
2-[bis(carboxymethyl)amino]-6-[[4-(propan-2-yldiazenyl)benzoyl]amino]hexanoic acid
CID 91052286
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide
CID 91272770
4-azidobenzoic acid;4-azido-N-(3-trimethoxysilylpropyl)benzamide;methanol;3-trimethoxysilylpropan-1-amine
CID 162180891
N-(3-aminopropyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
CID 155404148
N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
CID 141482420
4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 159843457
N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
CID 123343562
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-methoxy-N-pentylbenzamide
CID 3113360
N-(8-methylundecyl)-6-(propan-2-yldiazenyl)pyridine-3-carboxamide
CID 123241051

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide?
The IUPAC name of 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide (CID 123877140) is 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide.
What is the SMILES notation for 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide?
The canonical SMILES for 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide is CO[Si](CCCNC(=O)c1ccc(/N=N/C(C)C)cc1)(OC)OC.
What is the InChIKey of 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide?
The InChIKey is NIHPTPZGXLFZCS-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H27N3O4Si/c1-13(2)18-19-15-9-7-14(8-10-15)16(20)17-11-6-12-24(21-3,22-4)23-5/h7-10,13H,6,11-12H2,1-5H3,(H,17,20)/b19-18+.
What are the key properties of 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide?
4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide has a molecular weight of 353.50 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide is sourced from PubChem (CID 123877140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).