(Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide

C38H72N2O2 — CID 6436065

IUPAC(Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C38H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b19-17-,20-18-
InChIKeyOXDXXMDEEFOVHR-CLFAGFIQSA-N
MW589.01 g/mol
LogP11.29
Rot. Bonds33

About (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide

(Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide (PubChem CID 6436065) has the molecular formula C38H72N2O2 and a molecular weight of 589.01 g/mol. Its IUPAC name is (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide
PubChem CID6436065
Molecular FormulaC38H72N2O2
Molecular Weight589.01 g/mol
Exact Mass588.56
IUPAC Name(Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C38H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b19-17-,20-18-
InChIKeyOXDXXMDEEFOVHR-CLFAGFIQSA-N
XLogP11.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.01
LogP ≤ 511.29
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide (CID 6436065) is (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide?
The InChIKey is OXDXXMDEEFOVHR-CLFAGFIQSA-N. The full InChI is InChI=1S/C38H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b19-17-,20-18-.
What are the key properties of (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide?
(Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide has a molecular weight of 589.01 g/mol, XLogP of 11.29, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide is sourced from PubChem (CID 6436065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).