N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide

C17H17N5O — CID 8684981

IUPACN-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccccc1CNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H17N5O/c1-13-7-5-6-10-15(13)11-18-16(23)12-22-20-17(19-21-22)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyWKONMQGTAOVEEX-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.96
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 8684981) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID8684981
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccccc1CNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H17N5O/c1-13-7-5-6-10-15(13)11-18-16(23)12-22-20-17(19-21-22)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyWKONMQGTAOVEEX-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-phenyltetrazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51284749
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 39470681
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
N-[(2,3-dimethylphenyl)carbamoyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 26295234
2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90648596
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 120651901

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 8684981) is N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide is Cc1ccccc1CNC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is WKONMQGTAOVEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-13-7-5-6-10-15(13)11-18-16(23)12-22-20-17(19-21-22)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 8684981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).