5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide

C19H19N5O4 — CID 169403022

IUPAC5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C19H19N5O4/c1-11-5-3-4-6-13(11)21-16(25)10-28-14-8-7-12(9-15(14)27-2)17-18(19(20)26)23-24-22-17/h3-9H,10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,23,24)
InChIKeyRDVYMQYYMNWGMG-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.91
Rot. Bonds7

About 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide

5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403022) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403022
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCOc1cc(-c2n[nH]nc2C(N)=O)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C19H19N5O4/c1-11-5-3-4-6-13(11)21-16(25)10-28-14-8-7-12(9-15(14)27-2)17-18(19(20)26)23-24-22-17/h3-9H,10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,23,24)
InChIKeyRDVYMQYYMNWGMG-UHFFFAOYSA-N
XLogP1.91
TPSA132.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403034
ethyl 5-[3-methoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400993
5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403992
ethyl 5-[2-bromo-5-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169401047
ethyl 5-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400026
5-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402819
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
ethyl 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400039
5-[3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169404022
2-amino-4-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406033
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide (CID 169403022) is 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide is COc1cc(-c2n[nH]nc2C(N)=O)ccc1OCC(=O)Nc1ccccc1C.
What is the InChIKey of 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is RDVYMQYYMNWGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-11-5-3-4-6-13(11)21-16(25)10-28-14-8-7-12(9-15(14)27-2)17-18(19(20)26)23-24-22-17/h3-9H,10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,23,24).
What are the key properties of 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).