N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

C19H20N4O2 — CID 53168785

IUPACN-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2n[nH]c(Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-3-5-14(6-4-13)11-17-21-18(23-22-17)12-19(24)20-15-7-9-16(25-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyQUIXLKODGQFSQB-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.89
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 53168785) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID53168785
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2n[nH]c(Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-3-5-14(6-4-13)11-17-21-18(23-22-17)12-19(24)20-15-7-9-16(25-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyQUIXLKODGQFSQB-UHFFFAOYSA-N
XLogP2.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 43832152
2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide
CID 53168881
2-(4-methoxyphenyl)-N-(4-methylphenyl)acetamide;methyl 2-(4-methoxyphenyl)acetate
CID 161099806
[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600800
2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53168923
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
2-(3,4-dimethoxyphenyl)-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]acetamide
CID 53008595
N-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 51048605
2-(4-methoxyphenyl)-N-[4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenyl]acetamide
CID 3704626
N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844
1-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-3-phenylurea
CID 46354901

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (CID 53168785) is N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is COc1ccc(NC(=O)Cc2n[nH]c(Cc3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is QUIXLKODGQFSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-3-5-14(6-4-13)11-17-21-18(23-22-17)12-19(24)20-15-7-9-16(25-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 53168785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).