2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C16H18N6O2 — CID 112528878

IUPAC2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)Nc1cn(CC(=O)NCCc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C16H18N6O2/c1-11(23)19-15-9-22(21-20-15)10-16(24)17-7-6-12-8-18-14-5-3-2-4-13(12)14/h2-5,8-9,18H,6-7,10H2,1H3,(H,17,24)(H,19,23)
InChIKeyAOBZDHLVGXIJCB-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.08
Rot. Bonds6

About 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 112528878) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID112528878
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)Nc1cn(CC(=O)NCCc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C16H18N6O2/c1-11(23)19-15-9-22(21-20-15)10-16(24)17-7-6-12-8-18-14-5-3-2-4-13(12)14/h2-5,8-9,18H,6-7,10H2,1H3,(H,17,24)(H,19,23)
InChIKeyAOBZDHLVGXIJCB-UHFFFAOYSA-N
XLogP1.08
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
2-(4-acetamidotriazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112528868
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 46261613
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002483
methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527007
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
2-(4-acetamidotriazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 112529522
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(1H-indol-3-yl)indol-3-yl]acetamide
CID 101249218
N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499402

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 112528878) is 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)Nc1cn(CC(=O)NCCc2c[nH]c3ccccc23)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is AOBZDHLVGXIJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11(23)19-15-9-22(21-20-15)10-16(24)17-7-6-12-8-18-14-5-3-2-4-13(12)14/h2-5,8-9,18H,6-7,10H2,1H3,(H,17,24)(H,19,23).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 112528878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).