N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide

C26H38N4O5Si — CID 102049363

IUPACN'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide
SMILESCCO[Si](CCCNC(=O)CCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)(OCC)OCC
InChIInChI=1S/C26H38N4O5Si/c1-4-33-36(34-5-2,35-6-3)21-11-20-27-25(31)14-10-15-26(32)28-22-16-18-24(19-17-22)30-29-23-12-8-7-9-13-23/h7-9,12-13,16-19H,4-6,10-11,14-15,20-21H2,1-3H3,(H,27,31)(H,28,32)/b30-29+
InChIKeyOUSCMLCTBHEGMQ-QVIHXGFCSA-N
MW514.70 g/mol
LogP5.77
Rot. Bonds17

About N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide

N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide (PubChem CID 102049363) has the molecular formula C26H38N4O5Si and a molecular weight of 514.70 g/mol. Its IUPAC name is N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide.

Molecular Properties

Compound NameN'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide
PubChem CID102049363
Molecular FormulaC26H38N4O5Si
Molecular Weight514.70 g/mol
Exact Mass514.26
IUPAC NameN'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide
SMILESCCO[Si](CCCNC(=O)CCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)(OCC)OCC
InChIInChI=1S/C26H38N4O5Si/c1-4-33-36(34-5-2,35-6-3)21-11-20-27-25(31)14-10-15-26(32)28-22-16-18-24(19-17-22)30-29-23-12-8-7-9-13-23/h7-9,12-13,16-19H,4-6,10-11,14-15,20-21H2,1-3H3,(H,27,31)(H,28,32)/b30-29+
InChIKeyOUSCMLCTBHEGMQ-QVIHXGFCSA-N
XLogP5.77
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.70
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-phenyl-4-triethoxysilylbutanamide
CID 150591248
3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
CID 55342078
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate
CID 126010634
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide
CID 91272770
triethyl-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]azanium formate
CID 44604568
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
CID 4640199
3-triethoxysilylpropyl N,N'-diphenylcarbamimidothioate
CID 91997824
1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea
CID 102277551

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide?
The IUPAC name of N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide (CID 102049363) is N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide.
What is the SMILES notation for N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide?
The canonical SMILES for N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide is CCO[Si](CCCNC(=O)CCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)(OCC)OCC.
What is the InChIKey of N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide?
The InChIKey is OUSCMLCTBHEGMQ-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H38N4O5Si/c1-4-33-36(34-5-2,35-6-3)21-11-20-27-25(31)14-10-15-26(32)28-22-16-18-24(19-17-22)30-29-23-12-8-7-9-13-23/h7-9,12-13,16-19H,4-6,10-11,14-15,20-21H2,1-3H3,(H,27,31)(H,28,32)/b30-29+.
What are the key properties of N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide?
N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide has a molecular weight of 514.70 g/mol, XLogP of 5.77, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide is sourced from PubChem (CID 102049363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).