2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide

C17H21N5O — CID 121176811

IUPAC2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
SMILESCC(C)C(Cn1nccn1)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H21N5O/c1-12(2)16(11-22-19-7-8-20-22)21-17(23)9-13-10-18-15-6-4-3-5-14(13)15/h3-8,10,12,16,18H,9,11H2,1-2H3,(H,21,23)
InChIKeyPTVRRYGFGXVUHE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.14
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide

2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide (PubChem CID 121176811) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
PubChem CID121176811
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
SMILESCC(C)C(Cn1nccn1)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H21N5O/c1-12(2)16(11-22-19-7-8-20-22)21-17(23)9-13-10-18-15-6-4-3-5-14(13)15/h3-8,10,12,16,18H,9,11H2,1-2H3,(H,21,23)
InChIKeyPTVRRYGFGXVUHE-UHFFFAOYSA-N
XLogP2.14
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
2-(1H-indol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63612745
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115667804
N-(1-ethoxypropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 47903557
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide (CID 121176811) is 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide is CC(C)C(Cn1nccn1)NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
The InChIKey is PTVRRYGFGXVUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12(2)16(11-22-19-7-8-20-22)21-17(23)9-13-10-18-15-6-4-3-5-14(13)15/h3-8,10,12,16,18H,9,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 121176811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).