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

C34H67NO3 — CID 138235883

IUPACN-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide
SMILESCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+
InChIKeyPIZSDWOIZCOGIB-ORIPQNMZSA-N
MW537.91 g/mol
LogP9.56
Rot. Bonds30

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

N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide (PubChem CID 138235883) has the molecular formula C34H67NO3 and a molecular weight of 537.91 g/mol. Its IUPAC name is N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide.

Molecular Properties

Compound NameN-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide
PubChem CID138235883
Molecular FormulaC34H67NO3
Molecular Weight537.91 g/mol
Exact Mass537.51
IUPAC NameN-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide
SMILESCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+
InChIKeyPIZSDWOIZCOGIB-ORIPQNMZSA-N
XLogP9.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.91
LogP ≤ 59.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-dihydroxypentacos-4-en-2-yl]tetradecanamide
CID 138281491
N-[(E,2S,3R)-1,3-dihydroxyicos-4-en-2-yl]docosanamide
CID 134784421
N-[(E)-1,3-dihydroxytricos-4-en-2-yl]hentriacontanamide
CID 138297744
N-[(E)-1,3-dihydroxyhenicos-4-en-2-yl]dotriacontanamide
CID 138274464
N-[(E)-1,3-dihydroxyicos-4-en-2-yl]docosanamide
CID 138313880
N-[(E)-1,3-dihydroxyoctacos-4-en-2-yl]octatriacontanamide
CID 138300915
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosanamide
CID 59982723
N-[(E,2S)-1,3-dihydroxyoctadec-4-en-2-yl]heptadecanamide
CID 171405887
N-[(E)-1,3-dihydroxydocos-4-en-2-yl]nonacosanamide
CID 138316257
N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tricosanamide
CID 138247219
N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]heptacosanamide
CID 138262706
N-[(E)-1,3-dihydroxypentacos-4-en-2-yl]octadecanamide
CID 138264538

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide?
The IUPAC name of N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide (CID 138235883) is N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide.
What is the SMILES notation for N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide?
The canonical SMILES for N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide is CCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide?
The InChIKey is PIZSDWOIZCOGIB-ORIPQNMZSA-N. The full InChI is InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+.
What are the key properties of N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide?
N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide has a molecular weight of 537.91 g/mol, XLogP of 9.56, 30 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]nonadecanamide is sourced from PubChem (CID 138235883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).