4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide

C20H22N4O2 — CID 166450183

IUPAC4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cc(C(C)(C)O)nn3)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-14-4-10-17(11-5-14)21-19(25)16-8-6-15(7-9-16)12-24-13-18(22-23-24)20(2,3)26/h4-11,13,26H,12H2,1-3H3,(H,21,25)
InChIKeyBRXZWIQFMLXMMM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds5

About 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide

4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide (PubChem CID 166450183) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide
PubChem CID166450183
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cc(C(C)(C)O)nn3)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-14-4-10-17(11-5-14)21-19(25)16-8-6-15(7-9-16)12-24-13-18(22-23-24)20(2,3)26/h4-11,13,26H,12H2,1-3H3,(H,21,25)
InChIKeyBRXZWIQFMLXMMM-UHFFFAOYSA-N
XLogP3.11
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111510
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide (CID 166450183) is 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cn3cc(C(C)(C)O)nn3)cc2)cc1.
What is the InChIKey of 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide?
The InChIKey is BRXZWIQFMLXMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-4-10-17(11-5-14)21-19(25)16-8-6-15(7-9-16)12-24-13-18(22-23-24)20(2,3)26/h4-11,13,26H,12H2,1-3H3,(H,21,25).
What are the key properties of 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide?
4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 166450183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).