N-docos-13-enylhexadecanamide

C38H75NO — CID 54193549

IUPACN-docos-13-enylhexadecanamide
SMILESCCCCCCCCC=CCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C38H75NO/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-39-38(40)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18H,3-16,19-37H2,1-2H3,(H,39,40)
InChIKeyPKENKLFWCKFQCT-UHFFFAOYSA-N
MW562.02 g/mol
LogP13.18
Rot. Bonds34

About N-docos-13-enylhexadecanamide

N-docos-13-enylhexadecanamide (PubChem CID 54193549) has the molecular formula C38H75NO and a molecular weight of 562.02 g/mol. Its IUPAC name is N-docos-13-enylhexadecanamide.

Molecular Properties

Compound NameN-docos-13-enylhexadecanamide
PubChem CID54193549
Molecular FormulaC38H75NO
Molecular Weight562.02 g/mol
Exact Mass561.58
IUPAC NameN-docos-13-enylhexadecanamide
SMILESCCCCCCCCC=CCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C38H75NO/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-39-38(40)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18H,3-16,19-37H2,1-2H3,(H,39,40)
InChIKeyPKENKLFWCKFQCT-UHFFFAOYSA-N
XLogP13.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.02
LogP ≤ 513.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(Z)-N-butyloctadec-9-enamide
CID 6436496
N-hexadecyloctadec-9-enamide;sulfuric acid
CID 173436685
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841

Frequently Asked Questions

What is the IUPAC name of N-docos-13-enylhexadecanamide?
The IUPAC name of N-docos-13-enylhexadecanamide (CID 54193549) is N-docos-13-enylhexadecanamide.
What is the SMILES notation for N-docos-13-enylhexadecanamide?
The canonical SMILES for N-docos-13-enylhexadecanamide is CCCCCCCCC=CCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of N-docos-13-enylhexadecanamide?
The InChIKey is PKENKLFWCKFQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H75NO/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-39-38(40)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h17-18H,3-16,19-37H2,1-2H3,(H,39,40).
What are the key properties of N-docos-13-enylhexadecanamide?
N-docos-13-enylhexadecanamide has a molecular weight of 562.02 g/mol, XLogP of 13.18, 34 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-docos-13-enylhexadecanamide is sourced from PubChem (CID 54193549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).