N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C18H19N5O2 — CID 26691371

IUPACN-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2nnc(COc3ccccc3)n2)c1
InChIInChI=1S/C18H19N5O2/c1-2-14-7-6-8-15(11-14)19-18(24)12-23-21-17(20-22-23)13-25-16-9-4-3-5-10-16/h3-11H,2,12-13H2,1H3,(H,19,24)
InChIKeyNLLHSSFQBSMNSC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.45
Rot. Bonds7

About N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 26691371) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID26691371
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2nnc(COc3ccccc3)n2)c1
InChIInChI=1S/C18H19N5O2/c1-2-14-7-6-8-15(11-14)19-18(24)12-23-21-17(20-22-23)13-25-16-9-4-3-5-10-16/h3-11H,2,12-13H2,1H3,(H,19,24)
InChIKeyNLLHSSFQBSMNSC-UHFFFAOYSA-N
XLogP2.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9083236
N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26688041
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
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-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51296072
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200
N-methyl-N-[(4-methylphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51231033
1-(4-benzylpiperazin-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone
CID 9071492

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 26691371) is N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is CCc1cccc(NC(=O)Cn2nnc(COc3ccccc3)n2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is NLLHSSFQBSMNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-14-7-6-8-15(11-14)19-18(24)12-23-21-17(20-22-23)13-25-16-9-4-3-5-10-16/h3-11H,2,12-13H2,1H3,(H,19,24).
What are the key properties of N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 26691371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).