N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide

C21H24N4O2 — CID 5187164

IUPACN-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-n2nncc2C(C)(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-5-27-18-9-7-6-8-17(18)20(26)23-15-10-12-16(13-11-15)25-19(14-22-24-25)21(2,3)4/h6-14H,5H2,1-4H3,(H,23,26)
InChIKeyYUDSSQGWZYWOBC-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.22
Rot. Bonds5

About N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide

N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide (PubChem CID 5187164) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide
PubChem CID5187164
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-n2nncc2C(C)(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-5-27-18-9-7-6-8-17(18)20(26)23-15-10-12-16(13-11-15)25-19(14-22-24-25)21(2,3)4/h6-14H,5H2,1-4H3,(H,23,26)
InChIKeyYUDSSQGWZYWOBC-UHFFFAOYSA-N
XLogP4.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide (CID 5187164) is N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc(-n2nncc2C(C)(C)C)cc1.
What is the InChIKey of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide?
The InChIKey is YUDSSQGWZYWOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-27-18-9-7-6-8-17(18)20(26)23-15-10-12-16(13-11-15)25-19(14-22-24-25)21(2,3)4/h6-14H,5H2,1-4H3,(H,23,26).
What are the key properties of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide?
N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide has a molecular weight of 364.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 5187164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).