2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide

C18H20N4O2 — CID 9166678

IUPAC2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)N(C)Cc3ccco3)n2)c(C)c1
InChIInChI=1S/C18H20N4O2/c1-12-7-8-16(13(2)10-12)22-19-14(3)17(20-22)18(23)21(4)11-15-6-5-9-24-15/h5-10H,11H2,1-4H3
InChIKeyRUJICSKPXGVEGJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.06
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide

2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide (PubChem CID 9166678) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide
PubChem CID9166678
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)N(C)Cc3ccco3)n2)c(C)c1
InChIInChI=1S/C18H20N4O2/c1-12-7-8-16(13(2)10-12)22-19-14(3)17(20-22)18(23)21(4)11-15-6-5-9-24-15/h5-10H,11H2,1-4H3
InChIKeyRUJICSKPXGVEGJ-UHFFFAOYSA-N
XLogP3.06
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide
CID 55558028
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 26819803
2-[[4-(2,4-dimethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 55867710
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8571347
2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46388424
N-(furan-2-ylmethyl)-N,4-dimethyl-3-pyrrol-1-ylbenzamide
CID 18135649
(2-anilino-2-oxoethyl) 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981429
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-chloro-N-(furan-2-ylmethyl)benzamide
CID 1056484
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51164195
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 27739703

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide (CID 9166678) is 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)N(C)Cc3ccco3)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide?
The InChIKey is RUJICSKPXGVEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-7-8-16(13(2)10-12)22-19-14(3)17(20-22)18(23)21(4)11-15-6-5-9-24-15/h5-10H,11H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide?
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 9166678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).