(2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide

C21H41NO2 — CID 58361179

IUPAC(2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=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)/b11-10-/t20-/m0/s1
InChIKeyCZCOKVRPSLYFSX-PISNEZEASA-N
MW339.56 g/mol
LogP5.52
Rot. Bonds17

About (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide

(2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide (PubChem CID 58361179) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide
PubChem CID58361179
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=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)/b11-10-/t20-/m0/s1
InChIKeyCZCOKVRPSLYFSX-PISNEZEASA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide (CID 58361179) is (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide is CCCCCCCC/C=C\CCCCCCCCNC(=O)[C@H](C)O.
What is the InChIKey of (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide?
The InChIKey is CZCOKVRPSLYFSX-PISNEZEASA-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)/b11-10-/t20-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide?
(2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide 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 (2S)-2-hydroxy-N-[(Z)-octadec-9-enyl]propanamide is sourced from PubChem (CID 58361179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).