2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide

C19H21N5O2 — CID 1136576

IUPAC2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-26-17-10-8-16(9-11-17)19-21-23-24(22-19)13-18(25)20-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,20,25)
InChIKeyOSXVPHVGLOGAHF-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.36
Rot. Bonds7

About 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1136576) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1136576
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-26-17-10-8-16(9-11-17)19-21-23-24(22-19)13-18(25)20-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,20,25)
InChIKeyOSXVPHVGLOGAHF-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 1136576) is 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide is CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is OSXVPHVGLOGAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-26-17-10-8-16(9-11-17)19-21-23-24(22-19)13-18(25)20-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,20,25).
What are the key properties of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1136576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).