N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide

C21H41NO4 — CID 167219709

IUPACN-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide
SMILESCCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)C(C)O
InChIInChI=1S/C21H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19(17-23)22-21(26)18(2)24/h15-16,18-20,23-25H,3-14,17H2,1-2H3,(H,22,26)/b16-15+
InChIKeyHVCPDFYYUNQQGT-FOCLMDBBSA-N
MW371.56 g/mol
LogP3.46
Rot. Bonds17

About N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide

N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide (PubChem CID 167219709) has the molecular formula C21H41NO4 and a molecular weight of 371.56 g/mol. Its IUPAC name is N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide
PubChem CID167219709
Molecular FormulaC21H41NO4
Molecular Weight371.56 g/mol
Exact Mass371.30
IUPAC NameN-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide
SMILESCCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)C(C)O
InChIInChI=1S/C21H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19(17-23)22-21(26)18(2)24/h15-16,18-20,23-25H,3-14,17H2,1-2H3,(H,22,26)/b16-15+
InChIKeyHVCPDFYYUNQQGT-FOCLMDBBSA-N
XLogP3.46
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-methylpropanamide
CID 118218148
N-[(E)-1,3-dihydroxyhenicos-4-en-2-yl]-2-hydroxyoctadecanamide
CID 138263978
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxydotetracontanamide
CID 138146191
N-[(E)-1,3-dihydroxytricos-4-en-2-yl]-2-hydroxyheptadecanamide
CID 138304269
N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]-2-hydroxyheptacosanamide
CID 138300247
N-(1,3-dihydroxyicos-4-en-2-yl)-2-hydroxytetracosanamide
CID 73178599
N-[(E)-1,3-dihydroxypentacos-4-en-2-yl]-2-hydroxyhenicosanamide
CID 138191878
N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide
CID 138161293
N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxydotetracontanamide
CID 138123356
N-[(E)-1,3-dihydroxydocos-4-en-2-yl]-2-hydroxynonadecanamide
CID 138171977
N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]-2-hydroxydotriacontanamide
CID 138179733
N-[(E)-1,3-dihydroxyheptacos-4-en-2-yl]-2-hydroxyoctacosanamide
CID 138223988

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide?
The IUPAC name of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide (CID 167219709) is N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide.
What is the SMILES notation for N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide?
The canonical SMILES for N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide is CCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)C(C)O.
What is the InChIKey of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide?
The InChIKey is HVCPDFYYUNQQGT-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19(17-23)22-21(26)18(2)24/h15-16,18-20,23-25H,3-14,17H2,1-2H3,(H,22,26)/b16-15+.
What are the key properties of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide?
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide has a molecular weight of 371.56 g/mol, XLogP of 3.46, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide is sourced from PubChem (CID 167219709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).