N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide

C17H22N4O — CID 166286736

IUPACN-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CC12CCC(CC1)C2)NCCn1nnc2ccccc21
InChIInChI=1S/C17H22N4O/c22-16(12-17-7-5-13(11-17)6-8-17)18-9-10-21-15-4-2-1-3-14(15)19-20-21/h1-4,13H,5-12H2,(H,18,22)
InChIKeyUKTSBIHYBCSBGY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide

N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 166286736) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID166286736
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CC12CCC(CC1)C2)NCCn1nnc2ccccc21
InChIInChI=1S/C17H22N4O/c22-16(12-17-7-5-13(11-17)6-8-17)18-9-10-21-15-4-2-1-3-14(15)19-20-21/h1-4,13H,5-12H2,(H,18,22)
InChIKeyUKTSBIHYBCSBGY-UHFFFAOYSA-N
XLogP2.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(benzotriazol-1-yl)ethylcarbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166284785
N-[2-(benzotriazol-1-yl)ethyl]-N'-cycloheptylbutanediamide
CID 46982982
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 50968267
N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 154848638
N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide
CID 74546278
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride
CID 154892791
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
N-[3-(benzotriazol-1-yl)propyl]-2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetamide
CID 42454984
3-(benzotriazol-1-yl)-1-phenylpropan-1-one
CID 3759222
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755545

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide (CID 166286736) is N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide is O=C(CC12CCC(CC1)C2)NCCn1nnc2ccccc21.
What is the InChIKey of N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is UKTSBIHYBCSBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-16(12-17-7-5-13(11-17)6-8-17)18-9-10-21-15-4-2-1-3-14(15)19-20-21/h1-4,13H,5-12H2,(H,18,22).
What are the key properties of N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide?
N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 166286736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).