(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide

C27H51NO3 — CID 138277505

IUPAC(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide
SMILESCCCC/C=C\CCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCC
InChIInChI=1S/C27H51NO3/c1-3-5-7-9-11-13-15-17-19-21-23-27(31)28-25(24-29)26(30)22-20-18-16-14-12-10-8-6-4-2/h9,11,20,22,25-26,29-30H,3-8,10,12-19,21,23-24H2,1-2H3,(H,28,31)/b11-9-,22-20+
InChIKeyVBIWAOBPUDVUON-WBHOQNJMSA-N
MW437.71 g/mol
LogP6.61
Rot. Bonds22

About (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide

(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide (PubChem CID 138277505) has the molecular formula C27H51NO3 and a molecular weight of 437.71 g/mol. Its IUPAC name is (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide.

Molecular Properties

Compound Name(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide
PubChem CID138277505
Molecular FormulaC27H51NO3
Molecular Weight437.71 g/mol
Exact Mass437.39
IUPAC Name(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide
SMILESCCCC/C=C\CCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCC
InChIInChI=1S/C27H51NO3/c1-3-5-7-9-11-13-15-17-19-21-23-27(31)28-25(24-29)26(30)22-20-18-16-14-12-10-8-6-4-2/h9,11,20,22,25-26,29-30H,3-8,10,12-19,21,23-24H2,1-2H3,(H,28,31)/b11-9-,22-20+
InChIKeyVBIWAOBPUDVUON-WBHOQNJMSA-N
XLogP6.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.71
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tetradec-9-enamide
CID 138192765
(Z)-N-[(4E,8E,12E)-1,3-dihydroxyheptadeca-4,8,12-trien-2-yl]hexatriacont-21-enamide
CID 138284819
(Z)-N-[(4E,8E,12E)-1,3-dihydroxyheptadeca-4,8,12-trien-2-yl]tetracos-11-enamide
CID 138222543
(Z)-N-[(E)-1,3-dihydroxyoctacos-4-en-2-yl]triacont-15-enamide
CID 138278687
(Z)-N-[(E)-1,3-dihydroxytetracos-4-en-2-yl]tetracos-11-enamide
CID 138129533
(Z)-N-[(E)-1,3-dihydroxynonadec-4-en-2-yl]tetracont-21-enamide
CID 138197072
(E)-N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]heptadec-9-enamide
CID 134752050
(Z)-N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]nonacos-14-enamide
CID 138131100
(E)-N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]heptadec-9-enamide
CID 134760738
(Z)-N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]dotriacont-17-enamide
CID 138252214
(Z)-N-[(E)-1,3-dihydroxytriacont-4-en-2-yl]icos-11-enamide
CID 138249187
(E)-N-[(E,2S,3R)-1,3-dihydroxyhenicos-4-en-2-yl]icos-11-enamide
CID 134743621

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide?
The IUPAC name of (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide (CID 138277505) is (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide.
What is the SMILES notation for (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide?
The canonical SMILES for (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide is CCCC/C=C\CCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCC.
What is the InChIKey of (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide?
The InChIKey is VBIWAOBPUDVUON-WBHOQNJMSA-N. The full InChI is InChI=1S/C27H51NO3/c1-3-5-7-9-11-13-15-17-19-21-23-27(31)28-25(24-29)26(30)22-20-18-16-14-12-10-8-6-4-2/h9,11,20,22,25-26,29-30H,3-8,10,12-19,21,23-24H2,1-2H3,(H,28,31)/b11-9-,22-20+.
What are the key properties of (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide?
(Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide has a molecular weight of 437.71 g/mol, XLogP of 6.61, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]tridec-8-enamide is sourced from PubChem (CID 138277505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).