N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide

C26H51NO10 — CID 122641710

IUPACN-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
SMILESCCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)C(O)C(O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C26H51NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(30)18(16-28)27-26(37)25(36)24(35)23(34)22(33)21(32)20(31)17-29/h14-15,18-25,28-36H,2-13,16-17H2,1H3,(H,27,37)
InChIKeyILMYUWHEVIDVPR-UHFFFAOYSA-N
MW537.69 g/mol
LogP-0.76
Rot. Bonds23

About N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide

N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide (PubChem CID 122641710) has the molecular formula C26H51NO10 and a molecular weight of 537.69 g/mol. Its IUPAC name is N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
PubChem CID122641710
Molecular FormulaC26H51NO10
Molecular Weight537.69 g/mol
Exact Mass537.35
IUPAC NameN-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
SMILESCCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)C(O)C(O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C26H51NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(30)18(16-28)27-26(37)25(36)24(35)23(34)22(33)21(32)20(31)17-29/h14-15,18-25,28-36H,2-13,16-17H2,1H3,(H,27,37)
InChIKeyILMYUWHEVIDVPR-UHFFFAOYSA-N
XLogP-0.76
TPSA211.17 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.69
LogP ≤ 5-0.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide with MolForge

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Related Compounds

N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-methylpropanamide
CID 118218148
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide
CID 167219709
N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]-2-hydroxyoctatriacontanamide
CID 138211529
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide
CID 10209553
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-[(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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide?
The IUPAC name of N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide (CID 122641710) is N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide.
What is the SMILES notation for N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide?
The canonical SMILES for N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide is CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)C(O)C(O)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide?
The InChIKey is ILMYUWHEVIDVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(30)18(16-28)27-26(37)25(36)24(35)23(34)22(33)21(32)20(31)17-29/h14-15,18-25,28-36H,2-13,16-17H2,1H3,(H,27,37).
What are the key properties of N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide?
N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide has a molecular weight of 537.69 g/mol, XLogP of -0.76, 23 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide is sourced from PubChem (CID 122641710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).