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

C21H41NO2 — CID 173100220

IUPACN-(1-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=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)
InChIKeyIGMFRPORMAGCLM-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.87
Rot. Bonds17

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

N-(1-hydroxypropyl)octadec-9-enamide (PubChem CID 173100220) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is N-(1-hydroxypropyl)octadec-9-enamide.

Molecular Properties

Compound NameN-(1-hydroxypropyl)octadec-9-enamide
PubChem CID173100220
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC NameN-(1-hydroxypropyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=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)
InChIKeyIGMFRPORMAGCLM-UHFFFAOYSA-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

(Z)-N-(1-hydroxypropyl)octadec-9-enamide
CID 159234063
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 N-(1-hydroxypropyl)octadec-9-enamide?
The IUPAC name of N-(1-hydroxypropyl)octadec-9-enamide (CID 173100220) is N-(1-hydroxypropyl)octadec-9-enamide.
What is the SMILES notation for N-(1-hydroxypropyl)octadec-9-enamide?
The canonical SMILES for N-(1-hydroxypropyl)octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)NC(O)CC.
What is the InChIKey of N-(1-hydroxypropyl)octadec-9-enamide?
The InChIKey is IGMFRPORMAGCLM-UHFFFAOYSA-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).
What are the key properties of N-(1-hydroxypropyl)octadec-9-enamide?
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 N-(1-hydroxypropyl)octadec-9-enamide is sourced from PubChem (CID 173100220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).