(Z)-N-hexyltetradec-9-enamide;tetradecanamide

C34H68N2O2 — CID 156747401

IUPAC(Z)-N-hexyltetradec-9-enamide;tetradecanamide
SMILESCCCC/C=C\CCCCCCCC(=O)NCCCCCC.CCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C20H39NO.C14H29NO/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(22)21-19-17-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,3-8,11-19H2,1-2H3,(H,21,22);2-13H2,1H3,(H2,15,16)/b10-9-;
InChIKeyKLSZXKIJNQJZMZ-KVVVOXFISA-N
MW536.93 g/mol
LogP10.33
Rot. Bonds28

About (Z)-N-hexyltetradec-9-enamide;tetradecanamide

(Z)-N-hexyltetradec-9-enamide;tetradecanamide (PubChem CID 156747401) has the molecular formula C34H68N2O2 and a molecular weight of 536.93 g/mol. Its IUPAC name is (Z)-N-hexyltetradec-9-enamide;tetradecanamide.

Molecular Properties

Compound Name(Z)-N-hexyltetradec-9-enamide;tetradecanamide
PubChem CID156747401
Molecular FormulaC34H68N2O2
Molecular Weight536.93 g/mol
Exact Mass536.53
IUPAC Name(Z)-N-hexyltetradec-9-enamide;tetradecanamide
SMILESCCCC/C=C\CCCCCCCC(=O)NCCCCCC.CCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C20H39NO.C14H29NO/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(22)21-19-17-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,3-8,11-19H2,1-2H3,(H,21,22);2-13H2,1H3,(H2,15,16)/b10-9-;
InChIKeyKLSZXKIJNQJZMZ-KVVVOXFISA-N
XLogP10.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.93
LogP ≤ 510.33
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

N-hexylhexadecanamide;(Z)-tetradec-9-enamide
CID 156747366
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
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
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 (Z)-N-hexyltetradec-9-enamide;tetradecanamide?
The IUPAC name of (Z)-N-hexyltetradec-9-enamide;tetradecanamide (CID 156747401) is (Z)-N-hexyltetradec-9-enamide;tetradecanamide.
What is the SMILES notation for (Z)-N-hexyltetradec-9-enamide;tetradecanamide?
The canonical SMILES for (Z)-N-hexyltetradec-9-enamide;tetradecanamide is CCCC/C=C\CCCCCCCC(=O)NCCCCCC.CCCCCCCCCCCCCC(N)=O.
What is the InChIKey of (Z)-N-hexyltetradec-9-enamide;tetradecanamide?
The InChIKey is KLSZXKIJNQJZMZ-KVVVOXFISA-N. The full InChI is InChI=1S/C20H39NO.C14H29NO/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(22)21-19-17-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,3-8,11-19H2,1-2H3,(H,21,22);2-13H2,1H3,(H2,15,16)/b10-9-;.
What are the key properties of (Z)-N-hexyltetradec-9-enamide;tetradecanamide?
(Z)-N-hexyltetradec-9-enamide;tetradecanamide has a molecular weight of 536.93 g/mol, XLogP of 10.33, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-hexyltetradec-9-enamide;tetradecanamide is sourced from PubChem (CID 156747401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).