2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide

C17H18N4O — CID 166191100

IUPAC2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H18N4O/c1-2-20(12-14-8-4-3-5-9-14)17(22)13-21-16-11-7-6-10-15(16)18-19-21/h3-11H,2,12-13H2,1H3
InChIKeyXLYISLHEDWESSM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.48
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide

2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide (PubChem CID 166191100) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
PubChem CID166191100
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H18N4O/c1-2-20(12-14-8-4-3-5-9-14)17(22)13-21-16-11-7-6-10-15(16)18-19-21/h3-11H,2,12-13H2,1H3
InChIKeyXLYISLHEDWESSM-UHFFFAOYSA-N
XLogP2.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 166281423
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CID 55447071
N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide
CID 3739588
2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 166227374
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide
CID 154706314
2-(benzotriazol-1-yl)-N-benzyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 23885491
2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2722754
2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 47007781
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-ethoxyphenyl)acetamide
CID 98102402
2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 1168165
ethyl 4-[benzotriazol-1-ylmethyl(benzyl)amino]butanoate
CID 118230372

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide (CID 166191100) is 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide?
The InChIKey is XLYISLHEDWESSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-20(12-14-8-4-3-5-9-14)17(22)13-21-16-11-7-6-10-15(16)18-19-21/h3-11H,2,12-13H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide?
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide has a molecular weight of 294.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 166191100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).