1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

C19H20N4O3 — CID 6493760

IUPAC1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1-n1nnc(C(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C19H20N4O3/c1-4-26-17-8-6-5-7-16(17)23-13(2)18(21-22-23)19(24)20-14-9-11-15(25-3)12-10-14/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyDOLSQALITCQEBC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.24
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 6493760) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID6493760
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1-n1nnc(C(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C19H20N4O3/c1-4-26-17-8-6-5-7-16(17)23-13(2)18(21-22-23)19(24)20-14-9-11-15(25-3)12-10-14/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyDOLSQALITCQEBC-UHFFFAOYSA-N
XLogP3.24
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
1-(2-ethoxyphenyl)-5-methyl-N-(2-pyrazin-2-ylethyl)triazole-4-carboxamide
CID 46971316
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2150357
5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
CID 3053676
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
1-(2-anilino-2-oxoethyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 75528046
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27261932
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 6493760) is 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is CCOc1ccccc1-n1nnc(C(=O)Nc2ccc(OC)cc2)c1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is DOLSQALITCQEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-26-17-8-6-5-7-16(17)23-13(2)18(21-22-23)19(24)20-14-9-11-15(25-3)12-10-14/h5-12H,4H2,1-3H3,(H,20,24).
What are the key properties of 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 6493760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).