2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide

C27H38N6O — CID 10298395

IUPAC2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2ncccc2C)c2ccccc2)n1
InChIInChI=1S/C27H38N6O/c1-3-4-5-6-7-8-9-10-11-15-21-33-31-26(30-32-33)24(23-18-13-12-14-19-23)27(34)29-25-22(2)17-16-20-28-25/h12-14,16-20,24H,3-11,15,21H2,1-2H3,(H,28,29,34)
InChIKeyPZUKTMTYJWVKNR-UHFFFAOYSA-N
MW462.64 g/mol
LogP6.07
Rot. Bonds15

About 2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide

2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide (PubChem CID 10298395) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is 2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide
PubChem CID10298395
Molecular FormulaC27H38N6O
Molecular Weight462.64 g/mol
Exact Mass462.31
IUPAC Name2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2ncccc2C)c2ccccc2)n1
InChIInChI=1S/C27H38N6O/c1-3-4-5-6-7-8-9-10-11-15-21-33-31-26(30-32-33)24(23-18-13-12-14-19-23)27(34)29-25-22(2)17-16-20-28-25/h12-14,16-20,24H,3-11,15,21H2,1-2H3,(H,28,29,34)
InChIKeyPZUKTMTYJWVKNR-UHFFFAOYSA-N
XLogP6.07
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide?
The IUPAC name of 2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide (CID 10298395) is 2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for 2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide?
The canonical SMILES for 2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide is CCCCCCCCCCCCn1nnc(C(C(=O)Nc2ncccc2C)c2ccccc2)n1.
What is the InChIKey of 2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide?
The InChIKey is PZUKTMTYJWVKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O/c1-3-4-5-6-7-8-9-10-11-15-21-33-31-26(30-32-33)24(23-18-13-12-14-19-23)27(34)29-25-22(2)17-16-20-28-25/h12-14,16-20,24H,3-11,15,21H2,1-2H3,(H,28,29,34).
What are the key properties of 2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide?
2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide has a molecular weight of 462.64 g/mol, XLogP of 6.07, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyltetrazol-5-yl)-N-(3-methyl-2-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 10298395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).