2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide

C18H19N5O — CID 712695

IUPAC2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C18H19N5O/c1-12-9-13(2)17(14(3)10-12)19-16(24)11-23-21-18(20-22-23)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyMJUNZFPXAQWQDU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.90
Rot. Bonds4

About 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 712695) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID712695
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C18H19N5O/c1-12-9-13(2)17(14(3)10-12)19-16(24)11-23-21-18(20-22-23)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyMJUNZFPXAQWQDU-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-Diisopropyl-phenyl)-2-(2-dodecyl-2H-tetrazol-5-yl)-acetamide
CID 9868635
N-(2,6-Diisopropyl-phenyl)-2-(2-dodecyl-2H-tetrazol-5-yl)-2-phenyl-acetamide
CID 9958705
N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-tetrazol-2-yl)-2-phenyl-acetamide
CID 9984522
N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-tetrazol-2-yl)-acetamide
CID 10599875
1-Cycloheptyl-1-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10647055
N-(2,6-Bis(1-methylethyl)phenyl)-2-dodecyl-2H-tetrazole-5-propanamide
CID 10672037
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
N-(2,6-Dimethyl-phenyl)-2-[5-(4-morpholin-4-yl-phenyl)-tetrazol-2-yl]-acetamide
CID 645326
Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
N-(2-{2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 650750
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone
CID 652670

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 712695) is 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MJUNZFPXAQWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-9-13(2)17(14(3)10-12)19-16(24)11-23-21-18(20-22-23)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 712695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).