N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C17H17N5O3 — CID 2709045

IUPACN-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C17H17N5O3/c1-2-24-15-7-3-13(4-8-15)19-17(23)11-25-16-9-5-14(6-10-16)22-12-18-20-21-22/h3-10,12H,2,11H2,1H3,(H,19,23)
InChIKeyASITUJNYBBYWNA-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.08
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2709045) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2709045
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C17H17N5O3/c1-2-24-15-7-3-13(4-8-15)19-17(23)11-25-16-9-5-14(6-10-16)22-12-18-20-21-22/h3-10,12H,2,11H2,1H3,(H,19,23)
InChIKeyASITUJNYBBYWNA-UHFFFAOYSA-N
XLogP2.08
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-Chloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1080270
N-(2-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864036
N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
N-(3,4-Dimethyl-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 886651
N-(3-chloro-4-fluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2519672
N-(4-Nitro-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 3165713
N-(2-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 647163
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
N-(2,3-Dichloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1135809
N-(4-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864037
N-(4-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1140123
1-(4-phenoxyphenyl)-1H-tetraazole
CID 781454

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 2709045) is N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is CCOc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is ASITUJNYBBYWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-2-24-15-7-3-13(4-8-15)19-17(23)11-25-16-9-5-14(6-10-16)22-12-18-20-21-22/h3-10,12H,2,11H2,1H3,(H,19,23).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2709045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).