2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide

C30H43N5O — CID 142884894

IUPAC2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2cc(C)cc(C)c2C)c2ccccc2)n1
InChIInChI=1S/C30H43N5O/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)28(26-18-15-14-16-19-26)30(36)31-27-22-23(2)21-24(3)25(27)4/h14-16,18-19,21-22,28H,5-13,17,20H2,1-4H3,(H,31,36)
InChIKeyOUIJYOKESSCWGV-UHFFFAOYSA-N
MW489.71 g/mol
LogP7.29
Rot. Bonds15

About 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide

2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide (PubChem CID 142884894) has the molecular formula C30H43N5O and a molecular weight of 489.71 g/mol. Its IUPAC name is 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide
PubChem CID142884894
Molecular FormulaC30H43N5O
Molecular Weight489.71 g/mol
Exact Mass489.35
IUPAC Name2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2cc(C)cc(C)c2C)c2ccccc2)n1
InChIInChI=1S/C30H43N5O/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)28(26-18-15-14-16-19-26)30(36)31-27-22-23(2)21-24(3)25(27)4/h14-16,18-19,21-22,28H,5-13,17,20H2,1-4H3,(H,31,36)
InChIKeyOUIJYOKESSCWGV-UHFFFAOYSA-N
XLogP7.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.71
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide?
The IUPAC name of 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide (CID 142884894) is 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide?
The canonical SMILES for 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide is CCCCCCCCCCCCn1nnc(C(C(=O)Nc2cc(C)cc(C)c2C)c2ccccc2)n1.
What is the InChIKey of 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide?
The InChIKey is OUIJYOKESSCWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)28(26-18-15-14-16-19-26)30(36)31-27-22-23(2)21-24(3)25(27)4/h14-16,18-19,21-22,28H,5-13,17,20H2,1-4H3,(H,31,36).
What are the key properties of 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide?
2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide has a molecular weight of 489.71 g/mol, XLogP of 7.29, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,3,5-trimethylphenyl)acetamide is sourced from PubChem (CID 142884894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).