(2R)-2-hydroxy-N-octadec-9-enylpropanamide

C21H41NO2 — CID 123550405

IUPAC(2R)-2-hydroxy-N-octadec-9-enylpropanamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)[C@@H](C)O
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-21(24)20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyCZCOKVRPSLYFSX-HXUWFJFHSA-N
MW339.56 g/mol
LogP5.52
Rot. Bonds17

About (2R)-2-hydroxy-N-octadec-9-enylpropanamide

(2R)-2-hydroxy-N-octadec-9-enylpropanamide (PubChem CID 123550405) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-octadec-9-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-octadec-9-enylpropanamide
PubChem CID123550405
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(2R)-2-hydroxy-N-octadec-9-enylpropanamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)[C@@H](C)O
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-21(24)20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyCZCOKVRPSLYFSX-HXUWFJFHSA-N
XLogP5.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.52
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
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione;(2R)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide;(2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide;(Z)-octadec-9-en-1-amine
CID 159436861
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
1-octadec-9-enyl-3-propylurea
CID 85374995
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-octadec-9-enylpropanamide?
The IUPAC name of (2R)-2-hydroxy-N-octadec-9-enylpropanamide (CID 123550405) is (2R)-2-hydroxy-N-octadec-9-enylpropanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-octadec-9-enylpropanamide?
The canonical SMILES for (2R)-2-hydroxy-N-octadec-9-enylpropanamide is CCCCCCCCC=CCCCCCCCCNC(=O)[C@@H](C)O.
What is the InChIKey of (2R)-2-hydroxy-N-octadec-9-enylpropanamide?
The InChIKey is CZCOKVRPSLYFSX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-21(24)20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-octadec-9-enylpropanamide?
(2R)-2-hydroxy-N-octadec-9-enylpropanamide has a molecular weight of 339.56 g/mol, XLogP of 5.52, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-octadec-9-enylpropanamide is sourced from PubChem (CID 123550405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).