(11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide

C35H65NO3 — CID 138284729

IUPAC(11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCC
InChIInChI=1S/C35H65NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,16-17,28,30,33-34,37-38H,3-10,12,14-15,18-27,29,31-32H2,1-2H3,(H,36,39)/b13-11-,17-16-,30-28+
InChIKeyVXMOJVVMRWTUKL-FNUNVXLFSA-N
MW547.91 g/mol
LogP9.51
Rot. Bonds29

About (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide

(11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide (PubChem CID 138284729) has the molecular formula C35H65NO3 and a molecular weight of 547.91 g/mol. Its IUPAC name is (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide.

Molecular Properties

Compound Name(11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide
PubChem CID138284729
Molecular FormulaC35H65NO3
Molecular Weight547.91 g/mol
Exact Mass547.50
IUPAC Name(11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCC
InChIInChI=1S/C35H65NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,16-17,28,30,33-34,37-38H,3-10,12,14-15,18-27,29,31-32H2,1-2H3,(H,36,39)/b13-11-,17-16-,30-28+
InChIKeyVXMOJVVMRWTUKL-FNUNVXLFSA-N
XLogP9.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.91
LogP ≤ 59.51
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

(19Z,22Z)-N-[(E)-1,3-dihydroxydocos-4-en-2-yl]tetratriaconta-19,22-dienamide
CID 138251811
(21Z,24Z)-N-[(E)-1,3-dihydroxyicos-4-en-2-yl]hexatriaconta-21,24-dienamide
CID 138197839
(11Z,14Z)-N-[(E)-1,3-dihydroxytriacont-4-en-2-yl]hexacosa-11,14-dienamide
CID 138217046
(17Z,20Z)-N-[(E)-1,3-dihydroxyoctacos-4-en-2-yl]dotriaconta-17,20-dienamide
CID 138315723
(21Z,24Z)-N-[(E)-1,3-dihydroxytetracos-4-en-2-yl]dotetraconta-21,24-dienamide
CID 138216008
(17Z,20Z)-N-[(E)-1,3-dihydroxytriacont-4-en-2-yl]dotriaconta-17,20-dienamide
CID 138213878
(21Z,24Z)-N-[(E)-1,3-dihydroxyhenicos-4-en-2-yl]dotetraconta-21,24-dienamide
CID 138167687
(15Z,18Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]triaconta-15,18-dienamide
CID 138137778
(11Z,14Z)-N-[(E)-1,3-dihydroxyhenicos-4-en-2-yl]icosa-11,14-dienamide
CID 138131568
(11Z,14Z)-N-[(E)-1,3-dihydroxydocos-4-en-2-yl]icosa-11,14-dienamide
CID 138256098
(21Z,24Z)-N-[(4E,8E,12E)-1,3-dihydroxytetracosa-4,8,12-trien-2-yl]hexatriaconta-21,24-dienamide
CID 138148087
(11Z,14Z)-N-[(4E,8E)-1,3-dihydroxytetracosa-4,8-dien-2-yl]icosa-11,14-dienamide
CID 138194172

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide?
The IUPAC name of (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide (CID 138284729) is (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide.
What is the SMILES notation for (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide?
The canonical SMILES for (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide is CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCC.
What is the InChIKey of (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide?
The InChIKey is VXMOJVVMRWTUKL-FNUNVXLFSA-N. The full InChI is InChI=1S/C35H65NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,16-17,28,30,33-34,37-38H,3-10,12,14-15,18-27,29,31-32H2,1-2H3,(H,36,39)/b13-11-,17-16-,30-28+.
What are the key properties of (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide?
(11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide has a molecular weight of 547.91 g/mol, XLogP of 9.51, 29 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z)-N-[(E)-1,3-dihydroxypentadec-4-en-2-yl]icosa-11,14-dienamide is sourced from PubChem (CID 138284729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).