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

C18H19N5O3 — CID 7768900

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H19N5O3/c1-25-16-7-5-14(6-8-16)9-10-19-18(24)12-26-17-4-2-3-15(11-17)23-13-20-21-22-23/h2-8,11,13H,9-10,12H2,1H3,(H,19,24)
InChIKeyRJESJYWCDOZYHH-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.41
Rot. Bonds8

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

N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7768900) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7768900
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H19N5O3/c1-25-16-7-5-14(6-8-16)9-10-19-18(24)12-26-17-4-2-3-15(11-17)23-13-20-21-22-23/h2-8,11,13H,9-10,12H2,1H3,(H,19,24)
InChIKeyRJESJYWCDOZYHH-UHFFFAOYSA-N
XLogP1.41
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.41
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
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7768900) is N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is COc1ccc(CCNC(=O)COc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is RJESJYWCDOZYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-16-7-5-14(6-8-16)9-10-19-18(24)12-26-17-4-2-3-15(11-17)23-13-20-21-22-23/h2-8,11,13H,9-10,12H2,1H3,(H,19,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7768900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).