2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C18H18N4O — CID 162786952

IUPAC2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H18N4O/c23-18(12-22-17-8-4-3-7-16(17)20-21-22)19-15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-11H,1-2,5-6,12H2,(H,19,23)
InChIKeyNNKLTOATYSMGCK-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.95
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 162786952) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID162786952
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H18N4O/c23-18(12-22-17-8-4-3-7-16(17)20-21-22)19-15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-11H,1-2,5-6,12H2,(H,19,23)
InChIKeyNNKLTOATYSMGCK-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 645302
2-(benzotriazol-1-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 17452731
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521
2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 46820366
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
2-(benzotriazol-1-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277400
N'-[2-(benzotriazol-1-yl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 46698214

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 162786952) is 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is O=C(Cn1nnc2ccccc21)Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is NNKLTOATYSMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(12-22-17-8-4-3-7-16(17)20-21-22)19-15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-11H,1-2,5-6,12H2,(H,19,23).
What are the key properties of 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 162786952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).