N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide

C13H16N4O3 — CID 47335197

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C13H16N4O3/c1-17(13(18)12-9-14-16-15-12)7-8-20-11-5-3-10(19-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyKMKAKRBMBMIMFW-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.96
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide (PubChem CID 47335197) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
PubChem CID47335197
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C13H16N4O3/c1-17(13(18)12-9-14-16-15-12)7-8-20-11-5-3-10(19-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyKMKAKRBMBMIMFW-UHFFFAOYSA-N
XLogP0.96
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
CID 112733912
N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 112732793
5-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 78834288
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618211
N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
CID 112698098
2-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 103602421
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78794109
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9429656

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide (CID 47335197) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide is COc1ccc(OCCN(C)C(=O)c2cn[nH]n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is KMKAKRBMBMIMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-17(13(18)12-9-14-16-15-12)7-8-20-11-5-3-10(19-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 47335197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).