2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide

C23H21N5O3 — CID 8868304

IUPAC2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N5O3/c29-23(15-28-26-22(25-27-28)17-31-20-9-5-2-6-10-20)24-19-11-13-21(14-12-19)30-16-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,24,29)
InChIKeyARDHZGXKGXIBGQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.47
Rot. Bonds9

About 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide

2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 8868304) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID8868304
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N5O3/c29-23(15-28-26-22(25-27-28)17-31-20-9-5-2-6-10-20)24-19-11-13-21(14-12-19)30-16-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,24,29)
InChIKeyARDHZGXKGXIBGQ-UHFFFAOYSA-N
XLogP3.47
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26691371
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26688041
N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9083236
N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9091606
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9148157
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
CID 8870849
N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51296072
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 2343294
1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 9071492

Frequently Asked Questions

What is the IUPAC name of 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide (CID 8868304) is 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide is O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is ARDHZGXKGXIBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-23(15-28-26-22(25-27-28)17-31-20-9-5-2-6-10-20)24-19-11-13-21(14-12-19)30-16-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,24,29).
What are the key properties of 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide?
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 415.45 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 8868304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).