N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C21H19N5O2 — CID 155535940

IUPACN-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCc1ccc(-n2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-14-7-9-16(10-8-14)26-13-15(24-25-26)11-23-21(28)20(27)18-12-22-19-6-4-3-5-17(18)19/h3-10,12-13,22H,2,11H2,1H3,(H,23,28)
InChIKeyICGUUFJVWRPQAA-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.81
Rot. Bonds6

About N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 155535940) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID155535940
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCc1ccc(-n2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-14-7-9-16(10-8-14)26-13-15(24-25-26)11-23-21(28)20(27)18-12-22-19-6-4-3-5-17(18)19/h3-10,12-13,22H,2,11H2,1H3,(H,23,28)
InChIKeyICGUUFJVWRPQAA-UHFFFAOYSA-N
XLogP2.81
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 155535940) is N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is CCc1ccc(-n2cc(CNC(=O)C(=O)c3c[nH]c4ccccc34)nn2)cc1.
What is the InChIKey of N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is ICGUUFJVWRPQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-14-7-9-16(10-8-14)26-13-15(24-25-26)11-23-21(28)20(27)18-12-22-19-6-4-3-5-17(18)19/h3-10,12-13,22H,2,11H2,1H3,(H,23,28).
What are the key properties of N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 373.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethylphenyl)triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 155535940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).