5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide

C21H24N6O4 — CID 20853662

IUPAC5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2OCC)c1N
InChIInChI=1S/C21H24N6O4/c1-3-30-16-11-7-5-9-14(16)23-18(28)13-27-20(22)19(25-26-27)21(29)24-15-10-6-8-12-17(15)31-4-2/h5-12H,3-4,13,22H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyJRDYEOGRYLBRRG-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.55
Rot. Bonds9

About 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide

5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide (PubChem CID 20853662) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
PubChem CID20853662
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2OCC)c1N
InChIInChI=1S/C21H24N6O4/c1-3-30-16-11-7-5-9-14(16)23-18(28)13-27-20(22)19(25-26-27)21(29)24-15-10-6-8-12-17(15)31-4-2/h5-12H,3-4,13,22H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyJRDYEOGRYLBRRG-UHFFFAOYSA-N
XLogP2.55
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 20853663
1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53366120
5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-methylphenyl)triazole-4-carboxamide
CID 20853613
5-amino-1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 18578884
5-amino-N-(4-fluorophenyl)-1-[2-(2-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20923628
1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53366130
5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide
CID 50927865
5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
N-(3,4-difluorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53366135
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
5-amino-N-(4-ethoxyphenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853622
5-amino-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)triazole-4-carboxamide
CID 7385975

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide (CID 20853662) is 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide is CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2OCC)c1N.
What is the InChIKey of 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide?
The InChIKey is JRDYEOGRYLBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-3-30-16-11-7-5-9-14(16)23-18(28)13-27-20(22)19(25-26-27)21(29)24-15-10-6-8-12-17(15)31-4-2/h5-12H,3-4,13,22H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide?
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.55, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 20853662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).