N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide

C19H19N5O2 — CID 50968267

IUPACN-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCc1ccc2c(c1)C(CC(=O)NCCn1nnc3ccccc31)C(=O)N2
InChIInChI=1S/C19H19N5O2/c1-12-6-7-15-13(10-12)14(19(26)21-15)11-18(25)20-8-9-24-17-5-3-2-4-16(17)22-23-24/h2-7,10,14H,8-9,11H2,1H3,(H,20,25)(H,21,26)
InChIKeyPNXCTQBATYMOHK-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide

N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 50968267) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID50968267
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESCc1ccc2c(c1)C(CC(=O)NCCn1nnc3ccccc31)C(=O)N2
InChIInChI=1S/C19H19N5O2/c1-12-6-7-15-13(10-12)14(19(26)21-15)11-18(25)20-8-9-24-17-5-3-2-4-16(17)22-23-24/h2-7,10,14H,8-9,11H2,1H3,(H,20,25)(H,21,26)
InChIKeyPNXCTQBATYMOHK-UHFFFAOYSA-N
XLogP1.98
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 95127060
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 134813181
N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 154848638
N-[3-(benzotriazol-1-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95136208
N-[2-(benzotriazol-1-yl)ethyl]-2-(1-bicyclo[2.2.1]heptanyl)acetamide
CID 166286736
N-[2-(benzotriazol-1-yl)ethyl]-N'-cycloheptylbutanediamide
CID 46982982
N-[3-(benzotriazol-1-yl)propyl]-3-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 126467289
1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
CID 6490952
4-[2-(benzotriazol-1-yl)ethylcarbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166284785
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one
CID 27245194
N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride
CID 154892791

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 50968267) is N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide is Cc1ccc2c(c1)C(CC(=O)NCCn1nnc3ccccc31)C(=O)N2.
What is the InChIKey of N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is PNXCTQBATYMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-6-7-15-13(10-12)14(19(26)21-15)11-18(25)20-8-9-24-17-5-3-2-4-16(17)22-23-24/h2-7,10,14H,8-9,11H2,1H3,(H,20,25)(H,21,26).
What are the key properties of N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzotriazol-1-yl)ethyl]-2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 50968267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).