N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide

C19H20N6O3 — CID 2563374

IUPACN-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C19H20N6O3/c1-14-6-8-15(9-7-14)21-18(26)11-24(2)19(27)12-28-17-5-3-4-16(10-17)25-13-20-22-23-25/h3-10,13H,11-12H2,1-2H3,(H,21,26)
InChIKeyPAVSJGGPDYAXIE-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.45
Rot. Bonds7

About N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide

N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide (PubChem CID 2563374) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide
PubChem CID2563374
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C19H20N6O3/c1-14-6-8-15(9-7-14)21-18(26)11-24(2)19(27)12-28-17-5-3-4-16(10-17)25-13-20-22-23-25/h3-10,13H,11-12H2,1-2H3,(H,21,26)
InChIKeyPAVSJGGPDYAXIE-UHFFFAOYSA-N
XLogP1.45
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide (CID 2563374) is N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)COc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide?
The InChIKey is PAVSJGGPDYAXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-14-6-8-15(9-7-14)21-18(26)11-24(2)19(27)12-28-17-5-3-4-16(10-17)25-13-20-22-23-25/h3-10,13H,11-12H2,1-2H3,(H,21,26).
What are the key properties of N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide?
N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide has a molecular weight of 380.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 2563374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).