N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide

C13H20N4O4Si — CID 174143879

IUPACN-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide
SMILESCO[Si](CCCC(=O)Nn1nnc2ccccc21)(OC)OC
InChIInChI=1S/C13H20N4O4Si/c1-19-22(20-2,21-3)10-6-9-13(18)15-17-12-8-5-4-7-11(12)14-16-17/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,18)
InChIKeyHEDIFEGBVAPJGI-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.16
Rot. Bonds8

About N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide

N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide (PubChem CID 174143879) has the molecular formula C13H20N4O4Si and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide.

Molecular Properties

Compound NameN-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide
PubChem CID174143879
Molecular FormulaC13H20N4O4Si
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide
SMILESCO[Si](CCCC(=O)Nn1nnc2ccccc21)(OC)OC
InChIInChI=1S/C13H20N4O4Si/c1-19-22(20-2,21-3)10-6-9-13(18)15-17-12-8-5-4-7-11(12)14-16-17/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,18)
InChIKeyHEDIFEGBVAPJGI-UHFFFAOYSA-N
XLogP1.16
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzotriazol-1-yl)-2-chloroacetamide
CID 69222280
ethyl N-(benzotriazol-1-yl)carbamate
CID 71192391
N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide
CID 9429890
10-(benzotriazol-1-ylamino)decanoic acid
CID 155568237
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
N-ethylbenzotriazol-1-amine
CID 89402621
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide
CID 134137184
N-(benzotriazol-1-yl)-3-bromobenzamide
CID 171984668
methyl (E)-3-(benzotriazol-1-yl)but-2-enoate
CID 121219039
benzotriazol-1-yl 2-acetamidoacetate
CID 11322253
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 46461924

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide?
The IUPAC name of N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide (CID 174143879) is N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide.
What is the SMILES notation for N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide?
The canonical SMILES for N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide is CO[Si](CCCC(=O)Nn1nnc2ccccc21)(OC)OC.
What is the InChIKey of N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide?
The InChIKey is HEDIFEGBVAPJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4Si/c1-19-22(20-2,21-3)10-6-9-13(18)15-17-12-8-5-4-7-11(12)14-16-17/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,18).
What are the key properties of N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide?
N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide has a molecular weight of 324.41 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide is sourced from PubChem (CID 174143879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).