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

C27H23N5O2 — CID 171357197

IUPACN-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCc1ccc(-c2ccc(-n3cc(CNC(=O)C(=O)c4c[nH]c5ccccc45)nn3)cc2)cc1
InChIInChI=1S/C27H23N5O2/c1-2-18-7-9-19(10-8-18)20-11-13-22(14-12-20)32-17-21(30-31-32)15-29-27(34)26(33)24-16-28-25-6-4-3-5-23(24)25/h3-14,16-17,28H,2,15H2,1H3,(H,29,34)
InChIKeyJXDOWJBSORIEFU-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.48
Rot. Bonds7

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

N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 171357197) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID171357197
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC NameN-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCc1ccc(-c2ccc(-n3cc(CNC(=O)C(=O)c4c[nH]c5ccccc45)nn3)cc2)cc1
InChIInChI=1S/C27H23N5O2/c1-2-18-7-9-19(10-8-18)20-11-13-22(14-12-20)32-17-21(30-31-32)15-29-27(34)26(33)24-16-28-25-6-4-3-5-23(24)25/h3-14,16-17,28H,2,15H2,1H3,(H,29,34)
InChIKeyJXDOWJBSORIEFU-UHFFFAOYSA-N
XLogP4.48
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 17015529
N-(furan-3-ylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11630378
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275829
2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
CID 16867077
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27370104
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27567898
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
CID 114777919

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 171357197) is N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is CCc1ccc(-c2ccc(-n3cc(CNC(=O)C(=O)c4c[nH]c5ccccc45)nn3)cc2)cc1.
What is the InChIKey of N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is JXDOWJBSORIEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-2-18-7-9-19(10-8-18)20-11-13-22(14-12-20)32-17-21(30-31-32)15-29-27(34)26(33)24-16-28-25-6-4-3-5-23(24)25/h3-14,16-17,28H,2,15H2,1H3,(H,29,34).
What are the key properties of N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 449.51 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 171357197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).