2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide

C19H22N4O2 — CID 8002209

IUPAC2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-19(2,3)13-9-10-17(25-4)15(11-13)20-18(24)12-23-16-8-6-5-7-14(16)21-22-23/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyGGYAUVBDEQJVFD-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.38
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide

2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide (PubChem CID 8002209) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide
PubChem CID8002209
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-19(2,3)13-9-10-17(25-4)15(11-13)20-18(24)12-23-16-8-6-5-7-14(16)21-22-23/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyGGYAUVBDEQJVFD-UHFFFAOYSA-N
XLogP3.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342132
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
N-(5-tert-butyl-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 7995313
2-(benzotriazol-1-yl)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1110815
2-(benzotriazol-1-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6897679
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate
CID 18276877
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
2-(benzotriazol-1-yloxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7668398

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide (CID 8002209) is 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide is COc1ccc(C(C)(C)C)cc1NC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide?
The InChIKey is GGYAUVBDEQJVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,3)13-9-10-17(25-4)15(11-13)20-18(24)12-23-16-8-6-5-7-14(16)21-22-23/h5-11H,12H2,1-4H3,(H,20,24).
What are the key properties of 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide?
2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide is sourced from PubChem (CID 8002209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).