N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide

C19H19N5O4 — CID 6860056

IUPACN-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N/n2cnnc2)cc1OC
InChIInChI=1S/C19H19N5O4/c1-26-16-6-4-3-5-15(16)23-19(25)11-28-17-8-7-14(9-18(17)27-2)10-22-24-12-20-21-13-24/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b22-10+
InChIKeyVPFPADAQJZNALP-LSHDLFTRSA-N
MW381.39 g/mol
LogP2.19
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide

N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide (PubChem CID 6860056) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
PubChem CID6860056
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=N/n2cnnc2)cc1OC
InChIInChI=1S/C19H19N5O4/c1-26-16-6-4-3-5-15(16)23-19(25)11-28-17-8-7-14(9-18(17)27-2)10-22-24-12-20-21-13-24/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b22-10+
InChIKeyVPFPADAQJZNALP-LSHDLFTRSA-N
XLogP2.19
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetate
CID 5344281
N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126024494
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126011349
N-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1276215
2-[2-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 40572838
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126170578
2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027803
5-bromo-2-hydroxy-N-[(Z)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126072144
N-(2-chlorophenyl)-2-[2-methoxy-4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetamide
CID 94709942
2-methoxy-N-[(Z)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126016968
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027680

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide (CID 6860056) is N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide is COc1ccccc1NC(=O)COc1ccc(/C=N/n2cnnc2)cc1OC.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide?
The InChIKey is VPFPADAQJZNALP-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-26-16-6-4-3-5-15(16)23-19(25)11-28-17-8-7-14(9-18(17)27-2)10-22-24-12-20-21-13-24/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b22-10+.
What are the key properties of N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide?
N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide has a molecular weight of 381.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide is sourced from PubChem (CID 6860056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).