(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide

C39H74N2O2 — CID 87571008

IUPAC(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C39H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(42)40-36-33-37-41-39(43)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3,(H,40,42)(H,41,43)/b19-17-,20-18-
InChIKeyZSJXKBFCSWUGLX-CLFAGFIQSA-N
MW603.03 g/mol
LogP11.68
Rot. Bonds34

About (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide

(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide (PubChem CID 87571008) has the molecular formula C39H74N2O2 and a molecular weight of 603.03 g/mol. Its IUPAC name is (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
PubChem CID87571008
Molecular FormulaC39H74N2O2
Molecular Weight603.03 g/mol
Exact Mass602.58
IUPAC Name(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C39H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(42)40-36-33-37-41-39(43)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3,(H,40,42)(H,41,43)/b19-17-,20-18-
InChIKeyZSJXKBFCSWUGLX-CLFAGFIQSA-N
XLogP11.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.03
LogP ≤ 511.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide with MolForge

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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
N-docos-13-enylhexadecanamide
CID 54193549
(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
(Z)-N-butyloctadec-9-enamide
CID 6436496
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide (CID 87571008) is (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCCNC(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide?
The InChIKey is ZSJXKBFCSWUGLX-CLFAGFIQSA-N. The full InChI is InChI=1S/C39H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(42)40-36-33-37-41-39(43)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3,(H,40,42)(H,41,43)/b19-17-,20-18-.
What are the key properties of (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide?
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide has a molecular weight of 603.03 g/mol, XLogP of 11.68, 34 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide is sourced from PubChem (CID 87571008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).