(Z)-N-(1-hydroxypropyl)octadec-9-enamide

C21H41NO2 — CID 159234063

IUPAC(Z)-N-(1-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(O)CC
InChIInChI=1S/C21H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)22-20(23)4-2/h11-12,20,23H,3-10,13-19H2,1-2H3,(H,22,24)/b12-11-
InChIKeyIGMFRPORMAGCLM-QXMHVHEDSA-N
MW339.56 g/mol
LogP5.87
Rot. Bonds17

About (Z)-N-(1-hydroxypropyl)octadec-9-enamide

(Z)-N-(1-hydroxypropyl)octadec-9-enamide (PubChem CID 159234063) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (Z)-N-(1-hydroxypropyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(1-hydroxypropyl)octadec-9-enamide
PubChem CID159234063
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(Z)-N-(1-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(O)CC
InChIInChI=1S/C21H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)22-20(23)4-2/h11-12,20,23H,3-10,13-19H2,1-2H3,(H,22,24)/b12-11-
InChIKeyIGMFRPORMAGCLM-QXMHVHEDSA-N
XLogP5.87
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 ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxypropyl)octadec-9-enamide
CID 173100220
N-[1-[1-(octadec-9-enoylamino)propoxy]propyl]octadec-9-enamide
CID 173446783
2-(octadec-9-enoylamino)butanoic acid
CID 85040613
N-(1-hydroxybutyl)decanamide
CID 87762139
N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
CID 76712413
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
1-[[(Z)-octadec-9-enoyl]amino]propyl-oxidoazanium
CID 20981591
N-[1-[4-[1-[[(Z)-octadec-9-enoyl]amino]propyl]piperazin-1-yl]propyl]octadec-9-enamide
CID 175579262

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-hydroxypropyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(1-hydroxypropyl)octadec-9-enamide (CID 159234063) is (Z)-N-(1-hydroxypropyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(1-hydroxypropyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(1-hydroxypropyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NC(O)CC.
What is the InChIKey of (Z)-N-(1-hydroxypropyl)octadec-9-enamide?
The InChIKey is IGMFRPORMAGCLM-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)22-20(23)4-2/h11-12,20,23H,3-10,13-19H2,1-2H3,(H,22,24)/b12-11-.
What are the key properties of (Z)-N-(1-hydroxypropyl)octadec-9-enamide?
(Z)-N-(1-hydroxypropyl)octadec-9-enamide has a molecular weight of 339.56 g/mol, XLogP of 5.87, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-hydroxypropyl)octadec-9-enamide is sourced from PubChem (CID 159234063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).