(12R)-12-hydroxy-N-propyloctadec-9-enamide

C21H41NO2 — CID 54296385

IUPAC(12R)-12-hydroxy-N-propyloctadec-9-enamide
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCCC
InChIInChI=1S/C21H41NO2/c1-3-5-6-13-16-20(23)17-14-11-9-7-8-10-12-15-18-21(24)22-19-4-2/h11,14,20,23H,3-10,12-13,15-19H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyMVGLYQNSBUGDSV-HXUWFJFHSA-N
MW339.56 g/mol
LogP5.52
Rot. Bonds17

About (12R)-12-hydroxy-N-propyloctadec-9-enamide

(12R)-12-hydroxy-N-propyloctadec-9-enamide (PubChem CID 54296385) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (12R)-12-hydroxy-N-propyloctadec-9-enamide.

Molecular Properties

Compound Name(12R)-12-hydroxy-N-propyloctadec-9-enamide
PubChem CID54296385
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(12R)-12-hydroxy-N-propyloctadec-9-enamide
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCCC
InChIInChI=1S/C21H41NO2/c1-3-5-6-13-16-20(23)17-14-11-9-7-8-10-12-15-18-21(24)22-19-4-2/h11,14,20,23H,3-10,12-13,15-19H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyMVGLYQNSBUGDSV-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

12-hydroxy-N-[2-hydroxy-3-(12-hydroxyoctadec-9-enoylamino)propyl]octadec-9-enamide
CID 54253409
N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide
CID 53427633
3-[[(12R)-12-hydroxyoctadec-9-enoyl]amino]propyl-trimethylazanium
CID 91586213
(Z,12R)-12-hydroxy-N-[(Z,12R)-12-hydroxyoctadec-9-enoyl]octadec-9-enamide
CID 87119921
(12R)-12-hydroxy-N-(2-hydroxypropyl)octadec-9-enamide
CID 54105430
(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one
CID 166138272
(Z)-12-hydroxy-N-propan-2-yloctadec-9-enamide
CID 135232048
sodium (Z,12R)-12-hydroxyoctadec-9-enoate
CID 23687338
strontium bis((Z,12R)-12-hydroxyoctadec-9-enoate)
CID 139794810
potassium (12R)-12-hydroxyoctadec-9-enoate
CID 57353383
12-hydroxyhenicos-14-enoic acid
CID 169277303
12-hydroxyicos-14-enoic acid
CID 169277255

Frequently Asked Questions

What is the IUPAC name of (12R)-12-hydroxy-N-propyloctadec-9-enamide?
The IUPAC name of (12R)-12-hydroxy-N-propyloctadec-9-enamide (CID 54296385) is (12R)-12-hydroxy-N-propyloctadec-9-enamide.
What is the SMILES notation for (12R)-12-hydroxy-N-propyloctadec-9-enamide?
The canonical SMILES for (12R)-12-hydroxy-N-propyloctadec-9-enamide is CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCCC.
What is the InChIKey of (12R)-12-hydroxy-N-propyloctadec-9-enamide?
The InChIKey is MVGLYQNSBUGDSV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-5-6-13-16-20(23)17-14-11-9-7-8-10-12-15-18-21(24)22-19-4-2/h11,14,20,23H,3-10,12-13,15-19H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (12R)-12-hydroxy-N-propyloctadec-9-enamide?
(12R)-12-hydroxy-N-propyloctadec-9-enamide 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 (12R)-12-hydroxy-N-propyloctadec-9-enamide is sourced from PubChem (CID 54296385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).