2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide

C21H17N5O3 — CID 55500018

IUPAC2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H17N5O3/c27-21(23-16-6-8-17(9-7-16)26-15-22-24-25-26)14-28-18-10-12-20(13-11-18)29-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,23,27)
InChIKeyAOFVGZGJJQTMDG-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.47
Rot. Bonds7

About 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55500018) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55500018
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H17N5O3/c27-21(23-16-6-8-17(9-7-16)26-15-22-24-25-26)14-28-18-10-12-20(13-11-18)29-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,23,27)
InChIKeyAOFVGZGJJQTMDG-UHFFFAOYSA-N
XLogP3.47
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-bromophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 17011484
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
N-(4-propan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709032
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
tert-butyl N-[4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 67163217
N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709037
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 26728522
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 59708623

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55500018) is 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is AOFVGZGJJQTMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c27-21(23-16-6-8-17(9-7-16)26-15-22-24-25-26)14-28-18-10-12-20(13-11-18)29-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,23,27).
What are the key properties of 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 387.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55500018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).