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

C22H27N5O2 — CID 3166708

IUPAC2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCCOc1ccc(-c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C22H27N5O2/c1-5-6-11-29-19-9-7-18(8-10-19)22-24-26-27(25-22)14-20(28)23-21-16(3)12-15(2)13-17(21)4/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,23,28)
InChIKeyKYIYXIMIZAUWNR-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.08
Rot. Bonds8

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

2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 3166708) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID3166708
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCCOc1ccc(-c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C22H27N5O2/c1-5-6-11-29-19-9-7-18(8-10-19)22-24-26-27(25-22)14-20(28)23-21-16(3)12-15(2)13-17(21)4/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,23,28)
InChIKeyKYIYXIMIZAUWNR-UHFFFAOYSA-N
XLogP4.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)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

N-(2,6-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 1136561
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide
CID 3136442
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 3171708
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3280448
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 3166714
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 858734
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 644791
N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 16517367
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 9468307
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 3166708) is 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is CCCCOc1ccc(-c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1.
What is the InChIKey of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is KYIYXIMIZAUWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-5-6-11-29-19-9-7-18(8-10-19)22-24-26-27(25-22)14-20(28)23-21-16(3)12-15(2)13-17(21)4/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,23,28).
What are the key properties of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 3166708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).