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

C16H15N5O3 — CID 1140123

IUPACN-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C16H15N5O3/c1-23-14-7-5-12(6-8-14)18-16(22)10-24-15-4-2-3-13(9-15)21-11-17-19-20-21/h2-9,11H,10H2,1H3,(H,18,22)
InChIKeyMYVZZJOPYGXWAR-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.69
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 1140123) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID1140123
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C16H15N5O3/c1-23-14-7-5-12(6-8-14)18-16(22)10-24-15-4-2-3-13(9-15)21-11-17-19-20-21/h2-9,11H,10H2,1H3,(H,18,22)
InChIKeyMYVZZJOPYGXWAR-UHFFFAOYSA-N
XLogP1.69
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-Chloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1080270
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-chloro-4-fluorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2519672
N-(4-Nitro-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 3165713
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
N-(2,3-Dichloro-phenyl)-2-(4-tetrazol-1-yl-phenoxy)-acetamide
CID 1135809
N-(4-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864037
2-[4-(Tetrazol-1-yl)phenoxy]acetamide
CID 817506
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(1-tetrazolyl)phenoxy]acetamide
CID 1139897

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 1140123) is N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is COc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is MYVZZJOPYGXWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-23-14-7-5-12(6-8-14)18-16(22)10-24-15-4-2-3-13(9-15)21-11-17-19-20-21/h2-9,11H,10H2,1H3,(H,18,22).
What are the key properties of N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 325.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 1140123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).