4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide

C24H36N4O4Si — CID 91272770

IUPAC4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide
SMILESCCO[Si](CCCNC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)(OCC)OCC
InChIInChI=1S/C24H36N4O4Si/c1-6-30-33(31-7-2,32-8-3)19-9-18-25-24(29)20-10-12-21(13-11-20)26-27-22-14-16-23(17-15-22)28(4)5/h10-17H,6-9,18-19H2,1-5H3,(H,25,29)/b27-26+
InChIKeyVOPVQXKFKBVVBH-CYYJNZCTSA-N
MW472.66 g/mol
LogP5.34
Rot. Bonds14

About 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide

4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide (PubChem CID 91272770) has the molecular formula C24H36N4O4Si and a molecular weight of 472.66 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide
PubChem CID91272770
Molecular FormulaC24H36N4O4Si
Molecular Weight472.66 g/mol
Exact Mass472.25
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide
SMILESCCO[Si](CCCNC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)(OCC)OCC
InChIInChI=1S/C24H36N4O4Si/c1-6-30-33(31-7-2,32-8-3)19-9-18-25-24(29)20-10-12-21(13-11-20)26-27-22-14-16-23(17-15-22)28(4)5/h10-17H,6-9,18-19H2,1-5H3,(H,25,29)/b27-26+
InChIKeyVOPVQXKFKBVVBH-CYYJNZCTSA-N
XLogP5.34
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.66
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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'}

Analyze 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide with MolForge

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Related Compounds

N-(3-aminopropyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
CID 155404148
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide
CID 123877140
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
N,N-dimethylaniline;4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
CID 175092573
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
CID 139481264
4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide
CID 155657712
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide (CID 91272770) is 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide is CCO[Si](CCCNC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)(OCC)OCC.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide?
The InChIKey is VOPVQXKFKBVVBH-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H36N4O4Si/c1-6-30-33(31-7-2,32-8-3)19-9-18-25-24(29)20-10-12-21(13-11-20)26-27-22-14-16-23(17-15-22)28(4)5/h10-17H,6-9,18-19H2,1-5H3,(H,25,29)/b27-26+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide?
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide has a molecular weight of 472.66 g/mol, XLogP of 5.34, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide is sourced from PubChem (CID 91272770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).