2-ethyl-2-hydroxyoctadec-9-enamide

C20H39NO2 — CID 173437552

IUPAC2-ethyl-2-hydroxyoctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(O)(CC)C(N)=O
InChIInChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23,4-2)19(21)22/h11-12,23H,3-10,13-18H2,1-2H3,(H2,21,22)
InChIKeyPMNWSSPQUKDYJH-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.26
Rot. Bonds16

About 2-ethyl-2-hydroxyoctadec-9-enamide

2-ethyl-2-hydroxyoctadec-9-enamide (PubChem CID 173437552) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-ethyl-2-hydroxyoctadec-9-enamide.

Molecular Properties

Compound Name2-ethyl-2-hydroxyoctadec-9-enamide
PubChem CID173437552
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name2-ethyl-2-hydroxyoctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(O)(CC)C(N)=O
InChIInChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23,4-2)19(21)22/h11-12,23H,3-10,13-18H2,1-2H3,(H2,21,22)
InChIKeyPMNWSSPQUKDYJH-UHFFFAOYSA-N
XLogP5.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.26
H-Bond Donors ≤ 52
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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Related Compounds

2-ethyl-2-hydroxyhexanamide
CID 18943167
2,2-dimethylicos-11-enamide
CID 57244584
2-hydroxy-2-(hydroxymethyl)decanamide
CID 87546710
2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
(Z)-2-aminoicos-11-en-2-ol
CID 87700839
octadec-9-enamide
CID 75990485
(E)-icos-11-enamide
CID 5365373
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
nonadec-3-enamide
CID 54215031
(Z)-(113C)octadec-9-enamide
CID 175811454

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxyoctadec-9-enamide?
The IUPAC name of 2-ethyl-2-hydroxyoctadec-9-enamide (CID 173437552) is 2-ethyl-2-hydroxyoctadec-9-enamide.
What is the SMILES notation for 2-ethyl-2-hydroxyoctadec-9-enamide?
The canonical SMILES for 2-ethyl-2-hydroxyoctadec-9-enamide is CCCCCCCCC=CCCCCCCC(O)(CC)C(N)=O.
What is the InChIKey of 2-ethyl-2-hydroxyoctadec-9-enamide?
The InChIKey is PMNWSSPQUKDYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23,4-2)19(21)22/h11-12,23H,3-10,13-18H2,1-2H3,(H2,21,22).
What are the key properties of 2-ethyl-2-hydroxyoctadec-9-enamide?
2-ethyl-2-hydroxyoctadec-9-enamide has a molecular weight of 325.54 g/mol, XLogP of 5.26, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxyoctadec-9-enamide is sourced from PubChem (CID 173437552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).