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

C19H19N5O5 — CID 169403034

IUPAC5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)COc2ccc(-c3n[nH]nc3C(N)=O)cc2OC)cc1
InChIInChI=1S/C19H19N5O5/c1-27-13-6-4-12(5-7-13)21-16(25)10-29-14-8-3-11(9-15(14)28-2)17-18(19(20)26)23-24-22-17/h3-9H,10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,23,24)
InChIKeyIRRKZZWBIXJLGN-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.61
Rot. Bonds8

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

5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403034) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403034
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)COc2ccc(-c3n[nH]nc3C(N)=O)cc2OC)cc1
InChIInChI=1S/C19H19N5O5/c1-27-13-6-4-12(5-7-13)21-16(25)10-29-14-8-3-11(9-15(14)28-2)17-18(19(20)26)23-24-22-17/h3-9H,10H2,1-2H3,(H2,20,26)(H,21,25)(H,22,23,24)
InChIKeyIRRKZZWBIXJLGN-UHFFFAOYSA-N
XLogP1.61
TPSA141.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400039
ethyl 5-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400026
5-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403022
5-[3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169404022
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
5-[3-ethoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403992
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
ethyl 5-[3-methoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400993
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 168534931
[4-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenyl] 4-methylbenzoate
CID 169403764

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide (CID 169403034) is 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide is COc1ccc(NC(=O)COc2ccc(-c3n[nH]nc3C(N)=O)cc2OC)cc1.
What is the InChIKey of 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is IRRKZZWBIXJLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-27-13-6-4-12(5-7-13)21-16(25)10-29-14-8-3-11(9-15(14)28-2)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-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide?
5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).