N-ethyl-2-hydroxyoctadec-9-enamide

C20H39NO2 — CID 54116663

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

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

N-ethyl-2-hydroxyoctadec-9-enamide (PubChem CID 54116663) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is N-ethyl-2-hydroxyoctadec-9-enamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxyoctadec-9-enamide
PubChem CID54116663
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC NameN-ethyl-2-hydroxyoctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(O)C(=O)NCC
InChIInChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(23)21-4-2/h11-12,19,22H,3-10,13-18H2,1-2H3,(H,21,23)
InChIKeyNKUKYKQZFHONOZ-UHFFFAOYSA-N
XLogP5.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.13
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-hydroxy-N-octadec-9-enyloctadecanamide
CID 173109988
sodium (Z)-2-hydroxyicos-11-enoate
CID 141048065
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(E)-2-hydroxyicos-11-enoic acid
CID 87314905
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
2-hydroxydocosa-9,13-dienoic acid
CID 139771533
2-hydroxy-N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
CID 76712407
(Z)-N-[(E)-1,3-dihydroxytetracos-4-en-2-yl]-2-hydroxyhexadec-7-enamide
CID 138276922
(Z)-N-[(E)-1,3-dihydroxyheptadec-4-en-2-yl]-2-hydroxynonacos-14-enamide
CID 138158234
(Z)-N-[(E)-1,3-dihydroxytetracos-4-en-2-yl]-2-hydroxyheptacos-12-enamide
CID 138154543
(Z)-N-[(E)-1,3-dihydroxyheptadec-4-en-2-yl]-2-hydroxyhentriacont-16-enamide
CID 138253608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxyoctadec-9-enamide?
The IUPAC name of N-ethyl-2-hydroxyoctadec-9-enamide (CID 54116663) is N-ethyl-2-hydroxyoctadec-9-enamide.
What is the SMILES notation for N-ethyl-2-hydroxyoctadec-9-enamide?
The canonical SMILES for N-ethyl-2-hydroxyoctadec-9-enamide is CCCCCCCCC=CCCCCCCC(O)C(=O)NCC.
What is the InChIKey of N-ethyl-2-hydroxyoctadec-9-enamide?
The InChIKey is NKUKYKQZFHONOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(23)21-4-2/h11-12,19,22H,3-10,13-18H2,1-2H3,(H,21,23).
What are the key properties of N-ethyl-2-hydroxyoctadec-9-enamide?
N-ethyl-2-hydroxyoctadec-9-enamide has a molecular weight of 325.54 g/mol, XLogP of 5.13, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxyoctadec-9-enamide is sourced from PubChem (CID 54116663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).