3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide

C18H19N5O3 — CID 47073723

IUPAC3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(NC(=O)Cn2nnc3ccccc32)cccc1C(=O)NCCO
InChIInChI=1S/C18H19N5O3/c1-12-13(18(26)19-9-10-24)5-4-7-14(12)20-17(25)11-23-16-8-3-2-6-15(16)21-22-23/h2-8,24H,9-11H2,1H3,(H,19,26)(H,20,25)
InChIKeyWDZCOBMDGQZPJI-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.10
Rot. Bonds6

About 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide

3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 47073723) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID47073723
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(NC(=O)Cn2nnc3ccccc32)cccc1C(=O)NCCO
InChIInChI=1S/C18H19N5O3/c1-12-13(18(26)19-9-10-24)5-4-7-14(12)20-17(25)11-23-16-8-3-2-6-15(16)21-22-23/h2-8,24H,9-11H2,1H3,(H,19,26)(H,20,25)
InChIKeyWDZCOBMDGQZPJI-UHFFFAOYSA-N
XLogP1.10
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7504195
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 134062871
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410760
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402564

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide (CID 47073723) is 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1c(NC(=O)Cn2nnc3ccccc32)cccc1C(=O)NCCO.
What is the InChIKey of 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is WDZCOBMDGQZPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-13(18(26)19-9-10-24)5-4-7-14(12)20-17(25)11-23-16-8-3-2-6-15(16)21-22-23/h2-8,24H,9-11H2,1H3,(H,19,26)(H,20,25).
What are the key properties of 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 353.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 47073723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).