2-ethyldocos-13-enamide

C24H47NO — CID 173006662

IUPAC2-ethyldocos-13-enamide
SMILESCCCCCCCCC=CCCCCCCCCCCC(CC)C(N)=O
InChIInChI=1S/C24H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(4-2)24(25)26/h11-12,23H,3-10,13-22H2,1-2H3,(H2,25,26)
InChIKeyLPYOBTLBNIIHBS-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.71
Rot. Bonds20

About 2-ethyldocos-13-enamide

2-ethyldocos-13-enamide (PubChem CID 173006662) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 2-ethyldocos-13-enamide.

Molecular Properties

Compound Name2-ethyldocos-13-enamide
PubChem CID173006662
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name2-ethyldocos-13-enamide
SMILESCCCCCCCCC=CCCCCCCCCCCC(CC)C(N)=O
InChIInChI=1S/C24H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(4-2)24(25)26/h11-12,23H,3-10,13-22H2,1-2H3,(H2,25,26)
InChIKeyLPYOBTLBNIIHBS-UHFFFAOYSA-N
XLogP7.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.71
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-ethyloctadec-9-enamide
CID 160810733
2-hexadecylicos-11-enamide
CID 173011844
azane;2-ethyldodecanamide
CID 174462460
2-triacont-19-enylbutanediamide
CID 155758594
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
2-ethylhexadecanamide;octadecanamide
CID 159948815
2-ethyloctadecanamide;hexadecanamide
CID 174921591
2-propylhexacosa-16,18,20-trienamide
CID 173137662
sulfanyl (Z)-2-ethyloctadec-9-enoate
CID 175507443
2-propyltetracosa-12,14,16,18-tetraenamide
CID 140665125
2-propylheptacosa-17,19,21-trienamide
CID 140559798
2-propylpentadec-12-enamide
CID 140789698

Frequently Asked Questions

What is the IUPAC name of 2-ethyldocos-13-enamide?
The IUPAC name of 2-ethyldocos-13-enamide (CID 173006662) is 2-ethyldocos-13-enamide.
What is the SMILES notation for 2-ethyldocos-13-enamide?
The canonical SMILES for 2-ethyldocos-13-enamide is CCCCCCCCC=CCCCCCCCCCCC(CC)C(N)=O.
What is the InChIKey of 2-ethyldocos-13-enamide?
The InChIKey is LPYOBTLBNIIHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(4-2)24(25)26/h11-12,23H,3-10,13-22H2,1-2H3,(H2,25,26).
What are the key properties of 2-ethyldocos-13-enamide?
2-ethyldocos-13-enamide has a molecular weight of 365.65 g/mol, XLogP of 7.71, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyldocos-13-enamide is sourced from PubChem (CID 173006662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).