N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide

C14H18N4O2 — CID 71810513

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCOC(CNC(=O)c1cn(C)nn1)c1ccccc1C
InChIInChI=1S/C14H18N4O2/c1-10-6-4-5-7-11(10)13(20-3)8-15-14(19)12-9-18(2)17-16-12/h4-7,9,13H,8H2,1-3H3,(H,15,19)
InChIKeyKXTFNHFHGTWHHE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.24
Rot. Bonds5

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide (PubChem CID 71810513) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide
PubChem CID71810513
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCOC(CNC(=O)c1cn(C)nn1)c1ccccc1C
InChIInChI=1S/C14H18N4O2/c1-10-6-4-5-7-11(10)13(20-3)8-15-14(19)12-9-18(2)17-16-12/h4-7,9,13H,8H2,1-3H3,(H,15,19)
InChIKeyKXTFNHFHGTWHHE-UHFFFAOYSA-N
XLogP1.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide (CID 71810513) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide is COC(CNC(=O)c1cn(C)nn1)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is KXTFNHFHGTWHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-6-4-5-7-11(10)13(20-3)8-15-14(19)12-9-18(2)17-16-12/h4-7,9,13H,8H2,1-3H3,(H,15,19).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 71810513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).