2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C17H18N4O3 — CID 46461924

IUPAC2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C17H18N4O3/c1-23-13-6-8-14(9-7-13)24-11-10-18-17(22)12-21-16-5-3-2-4-15(16)19-20-21/h2-9H,10-12H2,1H3,(H,18,22)
InChIKeyWXLSXRBXEWUOBN-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.64
Rot. Bonds7

About 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 46461924) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID46461924
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C17H18N4O3/c1-23-13-6-8-14(9-7-13)24-11-10-18-17(22)12-21-16-5-3-2-4-15(16)19-20-21/h2-9H,10-12H2,1H3,(H,18,22)
InChIKeyWXLSXRBXEWUOBN-UHFFFAOYSA-N
XLogP1.64
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide 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

2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide
CID 23610176
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 23610251
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 8976215
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9088736
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 17406064
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 18121535
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 51336102
(2S)-1-(benzotriazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 879163
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 46461924) is 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is WXLSXRBXEWUOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-13-6-8-14(9-7-13)24-11-10-18-17(22)12-21-16-5-3-2-4-15(16)19-20-21/h2-9H,10-12H2,1H3,(H,18,22).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 46461924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).