N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C17H17N5O2 — CID 864037

IUPACN-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H17N5O2/c1-2-13-6-8-14(9-7-13)19-17(23)11-24-16-5-3-4-15(10-16)22-12-18-20-21-22/h3-10,12H,2,11H2,1H3,(H,19,23)
InChIKeyQWZQVMAZEKLHDZ-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.24
Rot. Bonds6

About N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 864037) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID864037
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H17N5O2/c1-2-13-6-8-14(9-7-13)19-17(23)11-24-16-5-3-4-15(10-16)22-12-18-20-21-22/h3-10,12H,2,11H2,1H3,(H,19,23)
InChIKeyQWZQVMAZEKLHDZ-UHFFFAOYSA-N
XLogP2.24
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
N-(4-Nitro-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 3165713
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 4882934
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
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
2-phenoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 42893203
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-1H-quinolin-2-one
CID 46958631

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 864037) is N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is CCc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is QWZQVMAZEKLHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-2-13-6-8-14(9-7-13)19-17(23)11-24-16-5-3-4-15(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-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 864037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).