13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide

C26H44N2O5 — CID 123250283

IUPAC13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide
SMILESCCCCCC(C=CC=CCCCCCCCC(=O)NCCO)c1cc(O)n(CCO)c1O
InChIInChI=1S/C26H44N2O5/c1-2-3-11-14-22(23-21-25(32)28(18-20-30)26(23)33)15-12-9-7-5-4-6-8-10-13-16-24(31)27-17-19-29/h7,9,12,15,21-22,29-30,32-33H,2-6,8,10-11,13-14,16-20H2,1H3,(H,27,31)
InChIKeyQKFZBNHLIFRPGR-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.51
Rot. Bonds19

About 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide

13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide (PubChem CID 123250283) has the molecular formula C26H44N2O5 and a molecular weight of 464.65 g/mol. Its IUPAC name is 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide.

Molecular Properties

Compound Name13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide
PubChem CID123250283
Molecular FormulaC26H44N2O5
Molecular Weight464.65 g/mol
Exact Mass464.33
IUPAC Name13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide
SMILESCCCCCC(C=CC=CCCCCCCCC(=O)NCCO)c1cc(O)n(CCO)c1O
InChIInChI=1S/C26H44N2O5/c1-2-3-11-14-22(23-21-25(32)28(18-20-30)26(23)33)15-12-9-7-5-4-6-8-10-13-16-24(31)27-17-19-29/h7,9,12,15,21-22,29-30,32-33H,2-6,8,10-11,13-14,16-20H2,1H3,(H,27,31)
InChIKeyQKFZBNHLIFRPGR-UHFFFAOYSA-N
XLogP4.51
TPSA114.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-Dodecyl-2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53821465
5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-N-(2-ethyl-3-methylbut-2-enyl)-3,3,5-trimethylhexanamide
CID 90984788
1-(2-Hydroxyethyl)-3-octadecylpyrrole-2,5-diol
CID 91159100
1-[2-(2-Hydroxyethylamino)ethyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrole-2,5-diol
CID 91285928
2-[Methyl(2-methylpropanoyl)amino]ethyl 4-[3-(3-ethylhexan-3-yl)-2,5-dihydroxypyrrol-1-yl]butanoate
CID 91389928
1-(2-Hydroxyethyl)-3-octadec-9-enylpyrrole-2,5-diol
CID 91407881
N-[2-[2-[2-[4-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 91588544
2-Hydroxyethyl 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]octadeca-9,11-dienoate
CID 123252881
7-[2,5-Dihydroxy-1-(2-sulfooxyethyl)pyrrol-3-yl]-3,3,5,5,12,12,14,14-octamethylpentadec-8-enoic acid
CID 123295966
3-(3-cyclononyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 123313904
4-[(2,5-dihydroxypyrrol-1-yl)methyl]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 123334704
N-[4-[3-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethoxy]-3-ethylpentoxy]-4-methylpentyl]-6-(methylamino)hexanamide
CID 123384805

Frequently Asked Questions

What is the IUPAC name of 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide?
The IUPAC name of 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide (CID 123250283) is 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide.
What is the SMILES notation for 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide?
The canonical SMILES for 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide is CCCCCC(C=CC=CCCCCCCCC(=O)NCCO)c1cc(O)n(CCO)c1O.
What is the InChIKey of 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide?
The InChIKey is QKFZBNHLIFRPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O5/c1-2-3-11-14-22(23-21-25(32)28(18-20-30)26(23)33)15-12-9-7-5-4-6-8-10-13-16-24(31)27-17-19-29/h7,9,12,15,21-22,29-30,32-33H,2-6,8,10-11,13-14,16-20H2,1H3,(H,27,31).
What are the key properties of 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide?
13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide has a molecular weight of 464.65 g/mol, XLogP of 4.51, 19 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[2,5-dihydroxy-1-(2-hydroxyethyl)pyrrol-3-yl]-N-(2-hydroxyethyl)octadeca-9,11-dienamide is sourced from PubChem (CID 123250283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).