2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide

C32H47N5O4 — CID 57152372

IUPAC2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1nnn(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2CC)n1
InChIInChI=1S/C32H47N5O4/c1-6-8-9-10-11-12-13-14-15-16-21-29-34-36-37(35-29)31(26-20-18-17-19-24(26)7-2)32(38)33-30-27(40-4)22-25(39-3)23-28(30)41-5/h17-20,22-23,31H,6-16,21H2,1-5H3,(H,33,38)
InChIKeyXGSJAJLALWLMAM-UHFFFAOYSA-N
MW565.76 g/mol
LogP6.95
Rot. Bonds19

About 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide

2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 57152372) has the molecular formula C32H47N5O4 and a molecular weight of 565.76 g/mol. Its IUPAC name is 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID57152372
Molecular FormulaC32H47N5O4
Molecular Weight565.76 g/mol
Exact Mass565.36
IUPAC Name2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1nnn(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2CC)n1
InChIInChI=1S/C32H47N5O4/c1-6-8-9-10-11-12-13-14-15-16-21-29-34-36-37(35-29)31(26-20-18-17-19-24(26)7-2)32(38)33-30-27(40-4)22-25(39-3)23-28(30)41-5/h17-20,22-23,31H,6-16,21H2,1-5H3,(H,33,38)
InChIKeyXGSJAJLALWLMAM-UHFFFAOYSA-N
XLogP6.95
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide (CID 57152372) is 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide is CCCCCCCCCCCCc1nnn(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2CC)n1.
What is the InChIKey of 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is XGSJAJLALWLMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N5O4/c1-6-8-9-10-11-12-13-14-15-16-21-29-34-36-37(35-29)31(26-20-18-17-19-24(26)7-2)32(38)33-30-27(40-4)22-25(39-3)23-28(30)41-5/h17-20,22-23,31H,6-16,21H2,1-5H3,(H,33,38).
What are the key properties of 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide?
2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 565.76 g/mol, XLogP of 6.95, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 57152372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).