N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide

C39H71NO — CID 130459165

IUPACN-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)CNC=O
InChIInChI=1S/C39H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37-40-38-41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38-39H,3-10,15-16,21-37H2,1-2H3,(H,40,41)/b13-11-,14-12-,19-17-,20-18-
InChIKeyUEDNZCOGGLURHS-MAZCIEHSSA-N
MW570.00 g/mol
LogP12.76
Rot. Bonds33

About N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide

N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide (PubChem CID 130459165) has the molecular formula C39H71NO and a molecular weight of 570.00 g/mol. Its IUPAC name is N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide.

Molecular Properties

Compound NameN-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide
PubChem CID130459165
Molecular FormulaC39H71NO
Molecular Weight570.00 g/mol
Exact Mass569.55
IUPAC NameN-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)CNC=O
InChIInChI=1S/C39H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37-40-38-41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38-39H,3-10,15-16,21-37H2,1-2H3,(H,40,41)/b13-11-,14-12-,19-17-,20-18-
InChIKeyUEDNZCOGGLURHS-MAZCIEHSSA-N
XLogP12.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.00
LogP ≤ 512.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide?
The IUPAC name of N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide (CID 130459165) is N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide.
What is the SMILES notation for N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide?
The canonical SMILES for N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide is CCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)CNC=O.
What is the InChIKey of N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide?
The InChIKey is UEDNZCOGGLURHS-MAZCIEHSSA-N. The full InChI is InChI=1S/C39H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37-40-38-41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38-39H,3-10,15-16,21-37H2,1-2H3,(H,40,41)/b13-11-,14-12-,19-17-,20-18-.
What are the key properties of N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide?
N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide has a molecular weight of 570.00 g/mol, XLogP of 12.76, 33 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]formamide is sourced from PubChem (CID 130459165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).