N-hexylhexadecanamide;(Z)-tetradec-9-enamide

C36H72N2O2 — CID 156747366

IUPACN-hexylhexadecanamide;(Z)-tetradec-9-enamide
SMILESCCCC/C=C\CCCCCCCC(N)=O.CCCCCCCCCCCCCCCC(=O)NCCCCCC
InChIInChI=1S/C22H45NO.C14H27NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(24)23-21-19-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-21H2,1-2H3,(H,23,24);5-6H,2-4,7-13H2,1H3,(H2,15,16)/b;6-5-
InChIKeyFHAPJWQUXLWSSH-JXGYXAOLSA-N
MW564.98 g/mol
LogP11.11
Rot. Bonds30

About N-hexylhexadecanamide;(Z)-tetradec-9-enamide

N-hexylhexadecanamide;(Z)-tetradec-9-enamide (PubChem CID 156747366) has the molecular formula C36H72N2O2 and a molecular weight of 564.98 g/mol. Its IUPAC name is N-hexylhexadecanamide;(Z)-tetradec-9-enamide.

Molecular Properties

Compound NameN-hexylhexadecanamide;(Z)-tetradec-9-enamide
PubChem CID156747366
Molecular FormulaC36H72N2O2
Molecular Weight564.98 g/mol
Exact Mass564.56
IUPAC NameN-hexylhexadecanamide;(Z)-tetradec-9-enamide
SMILESCCCC/C=C\CCCCCCCC(N)=O.CCCCCCCCCCCCCCCC(=O)NCCCCCC
InChIInChI=1S/C22H45NO.C14H27NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(24)23-21-19-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-21H2,1-2H3,(H,23,24);5-6H,2-4,7-13H2,1H3,(H2,15,16)/b;6-5-
InChIKeyFHAPJWQUXLWSSH-JXGYXAOLSA-N
XLogP11.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.98
LogP ≤ 511.11
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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Related Compounds

(Z)-N-hexyltetradec-9-enamide;tetradecanamide
CID 156747401
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
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
N'-octylhexanediamide
CID 18377759
hexadecanamide;N-octadecyloctadecanamide
CID 174792473

Frequently Asked Questions

What is the IUPAC name of N-hexylhexadecanamide;(Z)-tetradec-9-enamide?
The IUPAC name of N-hexylhexadecanamide;(Z)-tetradec-9-enamide (CID 156747366) is N-hexylhexadecanamide;(Z)-tetradec-9-enamide.
What is the SMILES notation for N-hexylhexadecanamide;(Z)-tetradec-9-enamide?
The canonical SMILES for N-hexylhexadecanamide;(Z)-tetradec-9-enamide is CCCC/C=C\CCCCCCCC(N)=O.CCCCCCCCCCCCCCCC(=O)NCCCCCC.
What is the InChIKey of N-hexylhexadecanamide;(Z)-tetradec-9-enamide?
The InChIKey is FHAPJWQUXLWSSH-JXGYXAOLSA-N. The full InChI is InChI=1S/C22H45NO.C14H27NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(24)23-21-19-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-21H2,1-2H3,(H,23,24);5-6H,2-4,7-13H2,1H3,(H2,15,16)/b;6-5-.
What are the key properties of N-hexylhexadecanamide;(Z)-tetradec-9-enamide?
N-hexylhexadecanamide;(Z)-tetradec-9-enamide has a molecular weight of 564.98 g/mol, XLogP of 11.11, 30 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylhexadecanamide;(Z)-tetradec-9-enamide is sourced from PubChem (CID 156747366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).