N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide

C30H59NO4 — CID 138161293

IUPACN-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide
SMILESCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C30H59NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(34)30(35)31-27(26-32)28(33)24-22-20-18-16-14-12-10-8-6-4-2/h22,24,27-29,32-34H,3-21,23,25-26H2,1-2H3,(H,31,35)/b24-22+
InChIKeyGLFCBQRRWCTBNL-ZNTNEXAZSA-N
MW497.81 g/mol
LogP6.97
Rot. Bonds26

About N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide

N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide (PubChem CID 138161293) has the molecular formula C30H59NO4 and a molecular weight of 497.81 g/mol. Its IUPAC name is N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide.

Molecular Properties

Compound NameN-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide
PubChem CID138161293
Molecular FormulaC30H59NO4
Molecular Weight497.81 g/mol
Exact Mass497.44
IUPAC NameN-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide
SMILESCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C30H59NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(34)30(35)31-27(26-32)28(33)24-22-20-18-16-14-12-10-8-6-4-2/h22,24,27-29,32-34H,3-21,23,25-26H2,1-2H3,(H,31,35)/b24-22+
InChIKeyGLFCBQRRWCTBNL-ZNTNEXAZSA-N
XLogP6.97
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 56.97
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-(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-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
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-dihydroxyicos-4-en-2-yl]-2-hydroxytetracontanamide
CID 138208098
N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]-2-hydroxytetracosanamide
CID 138212279

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide?
The IUPAC name of N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide (CID 138161293) is N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide.
What is the SMILES notation for N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide?
The canonical SMILES for N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide is CCCCCCCCCC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCC.
What is the InChIKey of N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide?
The InChIKey is GLFCBQRRWCTBNL-ZNTNEXAZSA-N. The full InChI is InChI=1S/C30H59NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(34)30(35)31-27(26-32)28(33)24-22-20-18-16-14-12-10-8-6-4-2/h22,24,27-29,32-34H,3-21,23,25-26H2,1-2H3,(H,31,35)/b24-22+.
What are the key properties of N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide?
N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide has a molecular weight of 497.81 g/mol, XLogP of 6.97, 26 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]-2-hydroxypentadecanamide is sourced from PubChem (CID 138161293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).