1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide

C21H23N5O4 — CID 53366120

IUPAC1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C21H23N5O4/c1-4-30-18-12-8-6-10-16(18)22-19(27)13-26-14(2)20(24-25-26)21(28)23-15-9-5-7-11-17(15)29-3/h5-12H,4,13H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyOPKPBXMQGRZRHZ-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.88
Rot. Bonds8

About 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide

1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 53366120) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID53366120
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C21H23N5O4/c1-4-30-18-12-8-6-10-16(18)22-19(27)13-26-14(2)20(24-25-26)21(28)23-15-9-5-7-11-17(15)29-3/h5-12H,4,13H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyOPKPBXMQGRZRHZ-UHFFFAOYSA-N
XLogP2.88
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53366130
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 20853662
N-(3,4-difluorophenyl)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53366135
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335329
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 53366258
1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335252
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53366234
5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-methylphenyl)triazole-4-carboxamide
CID 20853613
1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 42585449
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 20853663
ethyl 2-[[2-[4-[(2,3-dimethylphenyl)carbamoyl]-5-methyltriazol-1-yl]acetyl]amino]benzoate
CID 53365898

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 53366120) is 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide is CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2OC)c1C.
What is the InChIKey of 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is OPKPBXMQGRZRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-4-30-18-12-8-6-10-16(18)22-19(27)13-26-14(2)20(24-25-26)21(28)23-15-9-5-7-11-17(15)29-3/h5-12H,4,13H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 53366120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).