2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

C18H20N6O — CID 858734

IUPAC2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3N)n2)c(C)c1
InChIInChI=1S/C18H20N6O/c1-11-8-12(2)17(13(3)9-11)20-16(25)10-24-22-18(21-23-24)14-6-4-5-7-15(14)19/h4-9H,10,19H2,1-3H3,(H,20,25)
InChIKeyYVWQCBWGEYOETM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.49
Rot. Bonds4

About 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 858734) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID858734
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3N)n2)c(C)c1
InChIInChI=1S/C18H20N6O/c1-11-8-12(2)17(13(3)9-11)20-16(25)10-24-22-18(21-23-24)14-6-4-5-7-15(14)19/h4-9H,10,19H2,1-3H3,(H,20,25)
InChIKeyYVWQCBWGEYOETM-UHFFFAOYSA-N
XLogP2.49
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 859093
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3166708
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3280448
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide
CID 4023772
N-(2-chloro-4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4798908
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 858734) is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3N)n2)c(C)c1.
What is the InChIKey of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YVWQCBWGEYOETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11-8-12(2)17(13(3)9-11)20-16(25)10-24-22-18(21-23-24)14-6-4-5-7-15(14)19/h4-9H,10,19H2,1-3H3,(H,20,25).
What are the key properties of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 858734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).