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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Related Compounds

N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide
CID 4189088
3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 3288452
4-[4-[(2-oxochromen-4-yl)oxymethyl]triazol-1-yl]-N-phenylbenzamide
CID 155526092
N-(2-ethylphenyl)-4-[4-[(2-oxochromen-4-yl)oxymethyl]triazol-1-yl]benzamide
CID 155533146
[2-[4-[[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoylamino]methyl]triazol-1-yl]phenyl]methyl 2-methoxybenzoate
CID 155535841
N-(2-methylphenyl)-4-[4-[(2-oxochromen-4-yl)oxymethyl]triazol-1-yl]benzamide
CID 155538550
N-(4-methoxyphenyl)-4-[4-[(2-oxochromen-4-yl)oxymethyl]triazol-1-yl]benzamide
CID 155545117
5-Fluoro-2-[[1-[(2-methoxyphenyl)methyl]triazol-4-yl]methoxy]benzaldehyde
CID 168286552
N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide
CID 4656417
2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1224532
2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 17649603
2-[[1-[(3-Methylphenyl)methyl]triazol-4-yl]methoxy]benzaldehyde
CID 168287970

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).