(E)-N-pentadecyloctadec-9-enamide

C33H65NO — CID 166963229

IUPAC(E)-N-pentadecyloctadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NCCCCCCCCCCCCCCC
InChIInChI=1S/C33H65NO/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33(35)34-32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-32H2,1-2H3,(H,34,35)/b18-17+
InChIKeyVHWRIUGMADPRTP-ISLYRVAYSA-N
MW491.89 g/mol
LogP11.23
Rot. Bonds29

About (E)-N-pentadecyloctadec-9-enamide

(E)-N-pentadecyloctadec-9-enamide (PubChem CID 166963229) has the molecular formula C33H65NO and a molecular weight of 491.89 g/mol. Its IUPAC name is (E)-N-pentadecyloctadec-9-enamide.

Molecular Properties

Compound Name(E)-N-pentadecyloctadec-9-enamide
PubChem CID166963229
Molecular FormulaC33H65NO
Molecular Weight491.89 g/mol
Exact Mass491.51
IUPAC Name(E)-N-pentadecyloctadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)NCCCCCCCCCCCCCCC
InChIInChI=1S/C33H65NO/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33(35)34-32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-32H2,1-2H3,(H,34,35)/b18-17+
InChIKeyVHWRIUGMADPRTP-ISLYRVAYSA-N
XLogP11.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.89
LogP ≤ 511.23
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
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
(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 (E)-N-pentadecyloctadec-9-enamide?
The IUPAC name of (E)-N-pentadecyloctadec-9-enamide (CID 166963229) is (E)-N-pentadecyloctadec-9-enamide.
What is the SMILES notation for (E)-N-pentadecyloctadec-9-enamide?
The canonical SMILES for (E)-N-pentadecyloctadec-9-enamide is CCCCCCCC/C=C/CCCCCCCC(=O)NCCCCCCCCCCCCCCC.
What is the InChIKey of (E)-N-pentadecyloctadec-9-enamide?
The InChIKey is VHWRIUGMADPRTP-ISLYRVAYSA-N. The full InChI is InChI=1S/C33H65NO/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33(35)34-32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-32H2,1-2H3,(H,34,35)/b18-17+.
What are the key properties of (E)-N-pentadecyloctadec-9-enamide?
(E)-N-pentadecyloctadec-9-enamide has a molecular weight of 491.89 g/mol, XLogP of 11.23, 29 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pentadecyloctadec-9-enamide is sourced from PubChem (CID 166963229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).