2-hexadecylicos-11-enamide

C36H71NO — CID 173011844

IUPAC2-hexadecylicos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(CCCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C36H71NO/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36(37)38)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35H,3-16,18,20-34H2,1-2H3,(H2,37,38)
InChIKeyNOKKAPGKCUCTIX-UHFFFAOYSA-N
MW533.97 g/mol
LogP12.39
Rot. Bonds32

About 2-hexadecylicos-11-enamide

2-hexadecylicos-11-enamide (PubChem CID 173011844) has the molecular formula C36H71NO and a molecular weight of 533.97 g/mol. Its IUPAC name is 2-hexadecylicos-11-enamide.

Molecular Properties

Compound Name2-hexadecylicos-11-enamide
PubChem CID173011844
Molecular FormulaC36H71NO
Molecular Weight533.97 g/mol
Exact Mass533.55
IUPAC Name2-hexadecylicos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(CCCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C36H71NO/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36(37)38)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35H,3-16,18,20-34H2,1-2H3,(H2,37,38)
InChIKeyNOKKAPGKCUCTIX-UHFFFAOYSA-N
XLogP12.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.97
LogP ≤ 512.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
2-triacont-19-enylbutanediamide
CID 155758594
2-propyltetracosa-12,14,16,18-tetraenamide
CID 140665125
2-propylheptacosa-17,19,21-trienamide
CID 140559798
2-propylhexacosa-16,18,20-trienamide
CID 173137662
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-propylpentadec-12-enamide
CID 140789698
2-(3-trimethoxysilylpropyl)octadec-9-enamide
CID 173031259

Frequently Asked Questions

What is the IUPAC name of 2-hexadecylicos-11-enamide?
The IUPAC name of 2-hexadecylicos-11-enamide (CID 173011844) is 2-hexadecylicos-11-enamide.
What is the SMILES notation for 2-hexadecylicos-11-enamide?
The canonical SMILES for 2-hexadecylicos-11-enamide is CCCCCCCCC=CCCCCCCCCC(CCCCCCCCCCCCCCCC)C(N)=O.
What is the InChIKey of 2-hexadecylicos-11-enamide?
The InChIKey is NOKKAPGKCUCTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H71NO/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36(37)38)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,35H,3-16,18,20-34H2,1-2H3,(H2,37,38).
What are the key properties of 2-hexadecylicos-11-enamide?
2-hexadecylicos-11-enamide has a molecular weight of 533.97 g/mol, XLogP of 12.39, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecylicos-11-enamide is sourced from PubChem (CID 173011844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).