N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide

C14H18N4O2 — CID 112732793

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cn[nH]n2)c1
InChIInChI=1S/C14H18N4O2/c1-10-6-11(2)8-12(7-10)20-5-4-18(3)14(19)13-9-15-17-16-13/h6-9H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyLVSXFIYEYUSPSC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide (PubChem CID 112732793) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
PubChem CID112732793
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cn[nH]n2)c1
InChIInChI=1S/C14H18N4O2/c1-10-6-11(2)8-12(7-10)20-5-4-18(3)14(19)13-9-15-17-16-13/h6-9H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyLVSXFIYEYUSPSC-UHFFFAOYSA-N
XLogP1.57
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 47335197
N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
CID 112733912
N-(3,5-dimethylphenyl)-N-methyl-2H-triazole-4-carboxamide
CID 47356365
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
CID 112698098
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide
CID 116676227
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119687
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55650229
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 31795511

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide (CID 112732793) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)c2cn[nH]n2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is LVSXFIYEYUSPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-6-11(2)8-12(7-10)20-5-4-18(3)14(19)13-9-15-17-16-13/h6-9H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 112732793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).