N-(2-ethylhexyl)octadecanamide

C26H53NO — CID 151289703

IUPACN-(2-ethylhexyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(CC)CCCC
InChIInChI=1S/C26H53NO/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(28)27-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3,(H,27,28)
InChIKeyOAEBAFLKNNZJLF-UHFFFAOYSA-N
MW395.72 g/mol
LogP8.58
Rot. Bonds22

About N-(2-ethylhexyl)octadecanamide

N-(2-ethylhexyl)octadecanamide (PubChem CID 151289703) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is N-(2-ethylhexyl)octadecanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)octadecanamide
PubChem CID151289703
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC NameN-(2-ethylhexyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(CC)CCCC
InChIInChI=1S/C26H53NO/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(28)27-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3,(H,27,28)
InChIKeyOAEBAFLKNNZJLF-UHFFFAOYSA-N
XLogP8.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-ethylhexyl)octadecanamide?
The IUPAC name of N-(2-ethylhexyl)octadecanamide (CID 151289703) is N-(2-ethylhexyl)octadecanamide.
What is the SMILES notation for N-(2-ethylhexyl)octadecanamide?
The canonical SMILES for N-(2-ethylhexyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)octadecanamide?
The InChIKey is OAEBAFLKNNZJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(28)27-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3,(H,27,28).
What are the key properties of N-(2-ethylhexyl)octadecanamide?
N-(2-ethylhexyl)octadecanamide has a molecular weight of 395.72 g/mol, XLogP of 8.58, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)octadecanamide is sourced from PubChem (CID 151289703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).