N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide

C25H47NO2 — CID 91583099

IUPACN-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide
SMILESC=C(C)CCCC(NC(=O)CCCCCCCCCCCCCCC)C(C)=O
InChIInChI=1S/C25H47NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(28)26-24(23(4)27)20-18-19-22(2)3/h24H,2,5-21H2,1,3-4H3,(H,26,28)
InChIKeyYJPGSNUXNYHDFY-UHFFFAOYSA-N
MW393.66 g/mol
LogP7.29
Rot. Bonds20

About N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide

N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide (PubChem CID 91583099) has the molecular formula C25H47NO2 and a molecular weight of 393.66 g/mol. Its IUPAC name is N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide.

Molecular Properties

Compound NameN-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide
PubChem CID91583099
Molecular FormulaC25H47NO2
Molecular Weight393.66 g/mol
Exact Mass393.36
IUPAC NameN-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide
SMILESC=C(C)CCCC(NC(=O)CCCCCCCCCCCCCCC)C(C)=O
InChIInChI=1S/C25H47NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(28)26-24(23(4)27)20-18-19-22(2)3/h24H,2,5-21H2,1,3-4H3,(H,26,28)
InChIKeyYJPGSNUXNYHDFY-UHFFFAOYSA-N
XLogP7.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide?
The IUPAC name of N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide (CID 91583099) is N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide.
What is the SMILES notation for N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide?
The canonical SMILES for N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide is C=C(C)CCCC(NC(=O)CCCCCCCCCCCCCCC)C(C)=O.
What is the InChIKey of N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide?
The InChIKey is YJPGSNUXNYHDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(28)26-24(23(4)27)20-18-19-22(2)3/h24H,2,5-21H2,1,3-4H3,(H,26,28).
What are the key properties of N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide?
N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide has a molecular weight of 393.66 g/mol, XLogP of 7.29, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2-oxooct-7-en-3-yl)hexadecanamide is sourced from PubChem (CID 91583099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).