1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide

C18H18N4O2 — CID 42692695

IUPAC1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2cnc(C(=O)NCCOc3ccccc3)n2)c1
InChIInChI=1S/C18H18N4O2/c1-14-6-5-7-15(12-14)22-13-20-17(21-22)18(23)19-10-11-24-16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,19,23)
InChIKeyAWLJTRHRPGNAND-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.38
Rot. Bonds6

About 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide

1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692695) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692695
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2cnc(C(=O)NCCOc3ccccc3)n2)c1
InChIInChI=1S/C18H18N4O2/c1-14-6-5-7-15(12-14)22-13-20-17(21-22)18(23)19-10-11-24-16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,19,23)
InChIKeyAWLJTRHRPGNAND-UHFFFAOYSA-N
XLogP2.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880872
2,7-dimethyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134140165
7-methyl-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51185265
4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785145
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26676729
1,3-dimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304942
(3R)-1-(3-methylphenyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 93017611
N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692720
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide
CID 42575957
N-[2-(3-methylphenoxy)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 40738965

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide (CID 42692695) is 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide is Cc1cccc(-n2cnc(C(=O)NCCOc3ccccc3)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is AWLJTRHRPGNAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-14-6-5-7-15(12-14)22-13-20-17(21-22)18(23)19-10-11-24-16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,19,23).
What are the key properties of 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide?
1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).