N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C17H17N5O3 — CID 7768484

IUPACN-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1cccc(CNC(=O)COc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C17H17N5O3/c1-24-15-6-2-4-13(8-15)10-18-17(23)11-25-16-7-3-5-14(9-16)22-12-19-20-21-22/h2-9,12H,10-11H2,1H3,(H,18,23)
InChIKeyKVRJGXPOPWECEH-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.37
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7768484) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7768484
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1cccc(CNC(=O)COc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C17H17N5O3/c1-24-15-6-2-4-13(8-15)10-18-17(23)11-25-16-7-3-5-14(9-16)22-12-19-20-21-22/h2-9,12H,10-11H2,1H3,(H,18,23)
InChIKeyKVRJGXPOPWECEH-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(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
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
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
N-(4-Methyl-3-nitro-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1132956

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7768484) is N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is COc1cccc(CNC(=O)COc2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is KVRJGXPOPWECEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-15-6-2-4-13(8-15)10-18-17(23)11-25-16-7-3-5-14(9-16)22-12-19-20-21-22/h2-9,12H,10-11H2,1H3,(H,18,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 339.36 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7768484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).