N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

C20H22N4O3 — CID 127048076

IUPACN-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C20H22N4O3/c1-5-27-17-8-6-7-13(2)18(17)21-20(25)19-14(3)24(23-22-19)15-9-11-16(26-4)12-10-15/h6-12H,5H2,1-4H3,(H,21,25)
InChIKeyQBBZKYUUGKRTHL-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.54
Rot. Bonds6

About N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 127048076) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID127048076
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C20H22N4O3/c1-5-27-17-8-6-7-13(2)18(17)21-20(25)19-14(3)24(23-22-19)15-9-11-16(26-4)12-10-15/h6-12H,5H2,1-4H3,(H,21,25)
InChIKeyQBBZKYUUGKRTHL-UHFFFAOYSA-N
XLogP3.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 127048076) is N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is CCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(OC)cc2)c1C.
What is the InChIKey of N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is QBBZKYUUGKRTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-5-27-17-8-6-7-13(2)18(17)21-20(25)19-14(3)24(23-22-19)15-9-11-16(26-4)12-10-15/h6-12H,5H2,1-4H3,(H,21,25).
What are the key properties of N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-6-methylphenyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 127048076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).