N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C19H21N5O2 — CID 4793663

IUPACN-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCC(C)c1ccccc1NC(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-14(2)17-6-4-5-7-18(17)21-19(25)12-26-16-10-8-15(9-11-16)24-13-20-22-23-24/h4-11,13-14H,3,12H2,1-2H3,(H,21,25)
InChIKeyRMYIMIVGHPXMDH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.19
Rot. Bonds7

About N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 4793663) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID4793663
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCC(C)c1ccccc1NC(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-14(2)17-6-4-5-7-18(17)21-19(25)12-26-16-10-8-15(9-11-16)24-13-20-22-23-24/h4-11,13-14H,3,12H2,1-2H3,(H,21,25)
InChIKeyRMYIMIVGHPXMDH-UHFFFAOYSA-N
XLogP3.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 4793663) is N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is CCC(C)c1ccccc1NC(=O)COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is RMYIMIVGHPXMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-14(2)17-6-4-5-7-18(17)21-19(25)12-26-16-10-8-15(9-11-16)24-13-20-22-23-24/h4-11,13-14H,3,12H2,1-2H3,(H,21,25).
What are the key properties of N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 4793663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).