N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide

C25H48N2O3 — CID 166165546

IUPACN-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide
SMILESCCCCCCCCCCCCNC(=O)COC1CCCN(CCCCCC)C1=O
InChIInChI=1S/C25H48N2O3/c1-3-5-7-9-10-11-12-13-14-15-19-26-24(28)22-30-23-18-17-21-27(25(23)29)20-16-8-6-4-2/h23H,3-22H2,1-2H3,(H,26,28)
InChIKeyBJGYAKAJMXPRPG-UHFFFAOYSA-N
MW424.67 g/mol
LogP5.61
Rot. Bonds19

About N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide

N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide (PubChem CID 166165546) has the molecular formula C25H48N2O3 and a molecular weight of 424.67 g/mol. Its IUPAC name is N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide
PubChem CID166165546
Molecular FormulaC25H48N2O3
Molecular Weight424.67 g/mol
Exact Mass424.37
IUPAC NameN-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide
SMILESCCCCCCCCCCCCNC(=O)COC1CCCN(CCCCCC)C1=O
InChIInChI=1S/C25H48N2O3/c1-3-5-7-9-10-11-12-13-14-15-19-26-24(28)22-30-23-18-17-21-27(25(23)29)20-16-8-6-4-2/h23H,3-22H2,1-2H3,(H,26,28)
InChIKeyBJGYAKAJMXPRPG-UHFFFAOYSA-N
XLogP5.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide?
The IUPAC name of N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide (CID 166165546) is N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide.
What is the SMILES notation for N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide?
The canonical SMILES for N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide is CCCCCCCCCCCCNC(=O)COC1CCCN(CCCCCC)C1=O.
What is the InChIKey of N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide?
The InChIKey is BJGYAKAJMXPRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O3/c1-3-5-7-9-10-11-12-13-14-15-19-26-24(28)22-30-23-18-17-21-27(25(23)29)20-16-8-6-4-2/h23H,3-22H2,1-2H3,(H,26,28).
What are the key properties of N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide?
N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide has a molecular weight of 424.67 g/mol, XLogP of 5.61, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-(1-hexyl-2-oxopiperidin-3-yl)oxyacetamide is sourced from PubChem (CID 166165546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).