N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide

C20H22N4O — CID 102128115

IUPACN-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)(C)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H22N4O/c1-15-9-7-8-12-17(15)19(25)21-20(2,3)18-14-24(23-22-18)13-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3,(H,21,25)
InChIKeyOTDKHZUSCZBXFB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide

N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide (PubChem CID 102128115) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide
PubChem CID102128115
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)(C)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H22N4O/c1-15-9-7-8-12-17(15)19(25)21-20(2,3)18-14-24(23-22-18)13-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3,(H,21,25)
InChIKeyOTDKHZUSCZBXFB-UHFFFAOYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide (CID 102128115) is N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C)(C)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide?
The InChIKey is OTDKHZUSCZBXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-9-7-8-12-17(15)19(25)21-20(2,3)18-14-24(23-22-18)13-16-10-5-4-6-11-16/h4-12,14H,13H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide?
N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 102128115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).