N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide

C20H22N4O2 — CID 119055234

IUPACN-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
SMILESCc1ccc(NC(=O)CCCn2cc(COc3ccccc3)nn2)cc1
InChIInChI=1S/C20H22N4O2/c1-16-9-11-17(12-10-16)21-20(25)8-5-13-24-14-18(22-23-24)15-26-19-6-3-2-4-7-19/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,21,25)
InChIKeyDVYZSTYYYIVPQH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.58
Rot. Bonds8

About N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide

N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide (PubChem CID 119055234) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
PubChem CID119055234
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
SMILESCc1ccc(NC(=O)CCCn2cc(COc3ccccc3)nn2)cc1
InChIInChI=1S/C20H22N4O2/c1-16-9-11-17(12-10-16)21-20(25)8-5-13-24-14-18(22-23-24)15-26-19-6-3-2-4-7-19/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,21,25)
InChIKeyDVYZSTYYYIVPQH-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055237
N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055260
4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 119055253
N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055236
4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 119055250
4-(methylsulfonylmethyl)-1-(4-phenoxybutyl)triazole
CID 94945269
N-phenyl-2-[4-[[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]triazol-1-yl]acetamide
CID 171391927
5-[4-[[1-[3-[4-(2-ethoxy-1-hydroxy-2-oxoethyl)anilino]-3-oxopropyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid
CID 11599063
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
CID 124938277
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887
N-(4-chlorophenyl)-2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]acetamide
CID 162675638

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
The IUPAC name of N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide (CID 119055234) is N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
The canonical SMILES for N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide is Cc1ccc(NC(=O)CCCn2cc(COc3ccccc3)nn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
The InChIKey is DVYZSTYYYIVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-16-9-11-17(12-10-16)21-20(25)8-5-13-24-14-18(22-23-24)15-26-19-6-3-2-4-7-19/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,21,25).
What are the key properties of N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide is sourced from PubChem (CID 119055234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).