2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide

C19H22N4O2 — CID 35932817

IUPAC2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COn1nnc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-19(2,3)22(13-15-9-5-4-6-10-15)18(24)14-25-23-17-12-8-7-11-16(17)20-21-23/h4-12H,13-14H2,1-3H3
InChIKeyLGQOFPCGRGWLLA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.69
Rot. Bonds5

About 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide

2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide (PubChem CID 35932817) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide
PubChem CID35932817
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COn1nnc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-19(2,3)22(13-15-9-5-4-6-10-15)18(24)14-25-23-17-12-8-7-11-16(17)20-21-23/h4-12H,13-14H2,1-3H3
InChIKeyLGQOFPCGRGWLLA-UHFFFAOYSA-N
XLogP2.69
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7668531
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759
benzotriazol-1-yl (2S)-2-(dibenzylamino)propanoate
CID 11417792
2-(benzotriazol-1-yloxy)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 71997092
4-[2-[benzyl(tert-butyl)amino]-2-oxoethoxy]benzamide
CID 16545469
N-(4-aminobutyl)-N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134296
2-(benzotriazol-1-yloxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 25369196
N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142202
(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
CID 130556874
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 13101377

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide?
The IUPAC name of 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide (CID 35932817) is 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide is CC(C)(C)N(Cc1ccccc1)C(=O)COn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide?
The InChIKey is LGQOFPCGRGWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,3)22(13-15-9-5-4-6-10-15)18(24)14-25-23-17-12-8-7-11-16(17)20-21-23/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide?
2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide has a molecular weight of 338.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide is sourced from PubChem (CID 35932817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).