1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide

C23H27N5O3 — CID 53366130

IUPAC1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C23H27N5O3/c1-6-31-19-10-8-7-9-18(19)24-20(29)13-28-17(5)22(26-27-28)23(30)25-21-15(3)11-14(2)12-16(21)4/h7-12H,6,13H2,1-5H3,(H,24,29)(H,25,30)
InChIKeyQQQYSXLEJBNEPB-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.80
Rot. Bonds7

About 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide

1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide (PubChem CID 53366130) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
PubChem CID53366130
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C23H27N5O3/c1-6-31-19-10-8-7-9-18(19)24-20(29)13-28-17(5)22(26-27-28)23(30)25-21-15(3)11-14(2)12-16(21)4/h7-12H,6,13H2,1-5H3,(H,24,29)(H,25,30)
InChIKeyQQQYSXLEJBNEPB-UHFFFAOYSA-N
XLogP3.80
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53366120
N-(3,4-difluorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53366135
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53366045
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 20853662
1-[2-(4-chloroanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53335059
1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 53365971
5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide
CID 15990803
ethyl 2-[[2-[4-[(2,3-dimethylphenyl)carbamoyl]-5-methyltriazol-1-yl]acetyl]amino]benzoate
CID 53365898
1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335252
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53335085
N-(4-ethoxyphenyl)-5-methyl-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazole-4-carboxamide
CID 53335389
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335329

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide (CID 53366130) is 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide is CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2c(C)cc(C)cc2C)c1C.
What is the InChIKey of 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide?
The InChIKey is QQQYSXLEJBNEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-6-31-19-10-8-7-9-18(19)24-20(29)13-28-17(5)22(26-27-28)23(30)25-21-15(3)11-14(2)12-16(21)4/h7-12H,6,13H2,1-5H3,(H,24,29)(H,25,30).
What are the key properties of 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide?
1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 53366130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).